(3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide

C24H35N7O2 — CID 154652030

IUPAC(3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide
SMILESCC(N)C1CCN(Cc2ccc(-n3ccc(NC(=O)N4CCN[C@H](C)C4)nc3=O)cc2)CC1
InChIInChI=1S/C24H35N7O2/c1-17-15-30(14-10-26-17)23(32)27-22-9-13-31(24(33)28-22)21-5-3-19(4-6-21)16-29-11-7-20(8-12-29)18(2)25/h3-6,9,13,17-18,20,26H,7-8,10-12,14-16,25H2,1-2H3,(H,27,28,32,33)/t17-,18?/m1/s1
InChIKeyGLRZDEFQAQGFEC-QNSVNVJESA-N
MW453.59 g/mol
LogP1.62
Rot. Bonds5

About (3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide

(3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide (PubChem CID 154652030) has the molecular formula C24H35N7O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is (3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide
PubChem CID154652030
Molecular FormulaC24H35N7O2
Molecular Weight453.59 g/mol
Exact Mass453.29
IUPAC Name(3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide
SMILESCC(N)C1CCN(Cc2ccc(-n3ccc(NC(=O)N4CCN[C@H](C)C4)nc3=O)cc2)CC1
InChIInChI=1S/C24H35N7O2/c1-17-15-30(14-10-26-17)23(32)27-22-9-13-31(24(33)28-22)21-5-3-19(4-6-21)16-29-11-7-20(8-12-29)18(2)25/h3-6,9,13,17-18,20,26H,7-8,10-12,14-16,25H2,1-2H3,(H,27,28,32,33)/t17-,18?/m1/s1
InChIKeyGLRZDEFQAQGFEC-QNSVNVJESA-N
XLogP1.62
TPSA108.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651199
N-[1-[4-[[4-[(1S)-1-aminoethyl]piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-4-[(2S)-2-amino-3-hydroxy-2-methylpropanoyl]piperazine-1-carboxamide;hydrochloride
CID 162716189
N-[1-[4-[[4-(2-aminopropan-2-yl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154652621
N-[1-[4-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651580
tert-butyl N-[1-[[4-[4-[[(3R)-3-methylpiperazine-1-carbonyl]amino]-2-oxopyrimidin-1-yl]phenyl]methyl]piperidin-4-yl]carbamate
CID 154652547
N-[1-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651648
N-[1-[4-[(3-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 155006466
N-[1-[4-[[(3R)-3-aminopiperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 168747598
3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]pyrrolidine-1-carboxamide;hydrochloride
CID 154997529
(3aS,6aR)-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 154651626
N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide
CID 154652414
[3-[[4-[2-oxo-4-(piperazine-1-carbonylamino)pyrimidin-1-yl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
CID 154998865

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide?
The IUPAC name of (3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide (CID 154652030) is (3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide.
What is the SMILES notation for (3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide?
The canonical SMILES for (3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide is CC(N)C1CCN(Cc2ccc(-n3ccc(NC(=O)N4CCN[C@H](C)C4)nc3=O)cc2)CC1.
What is the InChIKey of (3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide?
The InChIKey is GLRZDEFQAQGFEC-QNSVNVJESA-N. The full InChI is InChI=1S/C24H35N7O2/c1-17-15-30(14-10-26-17)23(32)27-22-9-13-31(24(33)28-22)21-5-3-19(4-6-21)16-29-11-7-20(8-12-29)18(2)25/h3-6,9,13,17-18,20,26H,7-8,10-12,14-16,25H2,1-2H3,(H,27,28,32,33)/t17-,18?/m1/s1.
What are the key properties of (3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide?
(3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-3-methylpiperazine-1-carboxamide is sourced from PubChem (CID 154652030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).