N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide

C17H24N6O — CID 122559836

IUPACN-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1nccc(C2CCN(C(=O)NCC(C)n3ccnc3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-13(23-10-7-18-12-23)11-20-17(24)22-8-4-15(5-9-22)16-3-6-19-14(2)21-16/h3,6-7,10,12-13,15H,4-5,8-9,11H2,1-2H3,(H,20,24)
InChIKeyPVVDNLHRPJTVPH-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.13
Rot. Bonds4

About N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide

N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide (PubChem CID 122559836) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
PubChem CID122559836
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1nccc(C2CCN(C(=O)NCC(C)n3ccnc3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-13(23-10-7-18-12-23)11-20-17(24)22-8-4-15(5-9-22)16-3-6-19-14(2)21-16/h3,6-7,10,12-13,15H,4-5,8-9,11H2,1-2H3,(H,20,24)
InChIKeyPVVDNLHRPJTVPH-UHFFFAOYSA-N
XLogP2.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-imidazol-1-ylpropyl]-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 125438167
4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide
CID 125442702
N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 122567299
N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 125438609
2-(azocan-1-yl)-1-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 90650761
[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 95828534
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
4-(4-methoxyphenyl)-1-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 118775678
4-(2-methylpyrimidin-4-yl)cyclohexan-1-ol
CID 139330455
tert-butyl N-(2-imidazol-1-ylpropyl)carbamate
CID 151187469
4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]benzoic acid
CID 74231502
6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 118783804

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide (CID 122559836) is N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide is Cc1nccc(C2CCN(C(=O)NCC(C)n3ccnc3)CC2)n1.
What is the InChIKey of N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
The InChIKey is PVVDNLHRPJTVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13(23-10-7-18-12-23)11-20-17(24)22-8-4-15(5-9-22)16-3-6-19-14(2)21-16/h3,6-7,10,12-13,15H,4-5,8-9,11H2,1-2H3,(H,20,24).
What are the key properties of N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122559836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).