N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide

C25H37N7O2 — CID 154652414

IUPACN-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide
SMILESCC(C)(N)C1CCN(C(=O)Nc2ccn(-c3ccc(CN4CCC(N)CC4)cc3)c(=O)n2)CC1
InChIInChI=1S/C25H37N7O2/c1-25(2,27)19-7-14-31(15-8-19)23(33)28-22-11-16-32(24(34)29-22)21-5-3-18(4-6-21)17-30-12-9-20(26)10-13-30/h3-6,11,16,19-20H,7-10,12-15,17,26-27H2,1-2H3,(H,28,29,33,34)
InChIKeyHVKJMMZJXJMLSE-UHFFFAOYSA-N
MW467.62 g/mol
LogP2.14
Rot. Bonds5

About N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide

N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide (PubChem CID 154652414) has the molecular formula C25H37N7O2 and a molecular weight of 467.62 g/mol. Its IUPAC name is N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide
PubChem CID154652414
Molecular FormulaC25H37N7O2
Molecular Weight467.62 g/mol
Exact Mass467.30
IUPAC NameN-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide
SMILESCC(C)(N)C1CCN(C(=O)Nc2ccn(-c3ccc(CN4CCC(N)CC4)cc3)c(=O)n2)CC1
InChIInChI=1S/C25H37N7O2/c1-25(2,27)19-7-14-31(15-8-19)23(33)28-22-11-16-32(24(34)29-22)21-5-3-18(4-6-21)17-30-12-9-20(26)10-13-30/h3-6,11,16,19-20H,7-10,12-15,17,26-27H2,1-2H3,(H,28,29,33,34)
InChIKeyHVKJMMZJXJMLSE-UHFFFAOYSA-N
XLogP2.14
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[4-[[4-(2-aminopropan-2-yl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154652621
3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]pyrrolidine-1-carboxamide;hydrochloride
CID 154997529
4-[(2S)-2-amino-2,3-dimethylbutanoyl]-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride
CID 154652341
[1-[4-[[1-[4-[[4-(2-aminopropan-2-yl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]carbamoyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 154997811
(3R)-3-(aminomethyl)-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]pyrrolidine-1-carboxamide;hydrochloride
CID 154652637
(3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride
CID 154651532
(3R)-4-(2-amino-2-methylpropanoyl)-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-3-ethylpiperazine-1-carboxamide;hydrochloride
CID 154651961
(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
(2S,6S)-2-amino-4-(2-amino-2-methylpropanoyl)-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-6-methylpiperazine-1-carboxamide
CID 155008694
N-[1-[4-[[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 154652016
(2S)-4-(2-amino-2-methylpropanoyl)-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;hydrochloride
CID 154651317
4-[2-[(2-amino-3-methylbutanoyl)amino]-2-methylpropanoyl]-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride
CID 154997710

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide (CID 154652414) is N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide is CC(C)(N)C1CCN(C(=O)Nc2ccn(-c3ccc(CN4CCC(N)CC4)cc3)c(=O)n2)CC1.
What is the InChIKey of N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide?
The InChIKey is HVKJMMZJXJMLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N7O2/c1-25(2,27)19-7-14-31(15-8-19)23(33)28-22-11-16-32(24(34)29-22)21-5-3-18(4-6-21)17-30-12-9-20(26)10-13-30/h3-6,11,16,19-20H,7-10,12-15,17,26-27H2,1-2H3,(H,28,29,33,34).
What are the key properties of N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide?
N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide has a molecular weight of 467.62 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-aminopropan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154652414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).