N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide

C19H32N4O — CID 122567299

IUPACN-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1nccc(C2CCN(C(=O)NC(C)CCCC(C)C)CC2)n1
InChIInChI=1S/C19H32N4O/c1-14(2)6-5-7-15(3)21-19(24)23-12-9-17(10-13-23)18-8-11-20-16(4)22-18/h8,11,14-15,17H,5-7,9-10,12-13H2,1-4H3,(H,21,24)
InChIKeyQGNHSUJIBXWLOD-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.89
Rot. Bonds6

About N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide

N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide (PubChem CID 122567299) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
PubChem CID122567299
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1nccc(C2CCN(C(=O)NC(C)CCCC(C)C)CC2)n1
InChIInChI=1S/C19H32N4O/c1-14(2)6-5-7-15(3)21-19(24)23-12-9-17(10-13-23)18-8-11-20-16(4)22-18/h8,11,14-15,17H,5-7,9-10,12-13H2,1-4H3,(H,21,24)
InChIKeyQGNHSUJIBXWLOD-UHFFFAOYSA-N
XLogP3.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-imidazol-1-ylpropyl]-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 125438167
N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 122559836
4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide
CID 125442702
4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 118779305
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
4-(hydroxymethyl)-N-(6-methylheptan-2-yl)piperidine-1-carboxamide
CID 110894480
2-(azocan-1-yl)-1-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 90650761
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
[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(2,3,4,5-tetrahydro-1-benzoxepin-4-yl)methanone
CID 72897722
[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 95828534
(6S)-2,6-dimethyl-8-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]octan-2-ol
CID 99962057

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide (CID 122567299) is N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide is Cc1nccc(C2CCN(C(=O)NC(C)CCCC(C)C)CC2)n1.
What is the InChIKey of N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
The InChIKey is QGNHSUJIBXWLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-14(2)6-5-7-15(3)21-19(24)23-12-9-17(10-13-23)18-8-11-20-16(4)22-18/h8,11,14-15,17H,5-7,9-10,12-13H2,1-4H3,(H,21,24).
What are the key properties of N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122567299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).