N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide

C25H35N5O2 — CID 92640331

IUPACN,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(CC(=O)NC(C)(C)Cc3ccccc3)CC2)ncc1C(=O)N(C)C
InChIInChI=1S/C25H35N5O2/c1-18-21(24(32)29(4)5)16-26-23(27-18)20-11-13-30(14-12-20)17-22(31)28-25(2,3)15-19-9-7-6-8-10-19/h6-10,16,20H,11-15,17H2,1-5H3,(H,28,31)
InChIKeyOJXHRRSUPQTGGM-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.80
Rot. Bonds7

About N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide

N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 92640331) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide
PubChem CID92640331
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC NameN,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(CC(=O)NC(C)(C)Cc3ccccc3)CC2)ncc1C(=O)N(C)C
InChIInChI=1S/C25H35N5O2/c1-18-21(24(32)29(4)5)16-26-23(27-18)20-11-13-30(14-12-20)17-22(31)28-25(2,3)15-19-9-7-6-8-10-19/h6-10,16,20H,11-15,17H2,1-5H3,(H,28,31)
InChIKeyOJXHRRSUPQTGGM-UHFFFAOYSA-N
XLogP2.80
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-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,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95805982
N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247791
4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 92636450
N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide
CID 110084736
2-[1-[3-(4-methoxy-N-methylanilino)propanoyl]piperidin-4-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92640321
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
2-[(2S)-1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92639894
N-benzyl-2-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 95806068
2-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]piperidin-1-yl]-N-tert-butylacetamide;hydroiodide
CID 111859764
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 70736964
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084882
N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738194

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide (CID 92640331) is N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide is Cc1nc(C2CCN(CC(=O)NC(C)(C)Cc3ccccc3)CC2)ncc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is OJXHRRSUPQTGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-18-21(24(32)29(4)5)16-26-23(27-18)20-11-13-30(14-12-20)17-22(31)28-25(2,3)15-19-9-7-6-8-10-19/h6-10,16,20H,11-15,17H2,1-5H3,(H,28,31).
What are the key properties of N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide?
N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92640331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).