N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C23H32N4O — CID 42953350

IUPACN-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCCc1ccc(C(NC(=O)C2CCCN(c3ncccn3)C2)C(C)C)cc1
InChIInChI=1S/C23H32N4O/c1-4-7-18-9-11-19(12-10-18)21(17(2)3)26-22(28)20-8-5-15-27(16-20)23-24-13-6-14-25-23/h6,9-14,17,20-21H,4-5,7-8,15-16H2,1-3H3,(H,26,28)
InChIKeyIKAXGHWQTRQOTC-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.16
Rot. Bonds7

About N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 42953350) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID42953350
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCCc1ccc(C(NC(=O)C2CCCN(c3ncccn3)C2)C(C)C)cc1
InChIInChI=1S/C23H32N4O/c1-4-7-18-9-11-19(12-10-18)21(17(2)3)26-22(28)20-8-5-15-27(16-20)23-24-13-6-14-25-23/h6,9-14,17,20-21H,4-5,7-8,15-16H2,1-3H3,(H,26,28)
InChIKeyIKAXGHWQTRQOTC-UHFFFAOYSA-N
XLogP4.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52508766
N-[1-[4-(propanoylamino)phenyl]ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55655942
(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7206249
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94042531
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55575997
N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide
CID 119273047
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
CID 119692874
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 42953350) is N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is CCCc1ccc(C(NC(=O)C2CCCN(c3ncccn3)C2)C(C)C)cc1.
What is the InChIKey of N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is IKAXGHWQTRQOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-4-7-18-9-11-19(12-10-18)21(17(2)3)26-22(28)20-8-5-15-27(16-20)23-24-13-6-14-25-23/h6,9-14,17,20-21H,4-5,7-8,15-16H2,1-3H3,(H,26,28).
What are the key properties of N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 42953350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).