1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide

C20H33N5O — CID 7436085

IUPAC1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
SMILESCc1cc(N(C)C)nc(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)n1
InChIInChI=1S/C20H33N5O/c1-14-7-5-6-8-17(14)22-19(26)16-9-11-25(12-10-16)20-21-15(2)13-18(23-20)24(3)4/h13-14,16-17H,5-12H2,1-4H3,(H,22,26)/t14-,17-/m1/s1
InChIKeySPQCYWXPSBFOKE-RHSMWYFYSA-N
MW359.52 g/mol
LogP2.76
Rot. Bonds4

About 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide

1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide (PubChem CID 7436085) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
PubChem CID7436085
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
SMILESCc1cc(N(C)C)nc(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)n1
InChIInChI=1S/C20H33N5O/c1-14-7-5-6-8-17(14)22-19(26)16-9-11-25(12-10-16)20-21-15(2)13-18(23-20)24(3)4/h13-14,16-17H,5-12H2,1-4H3,(H,22,26)/t14-,17-/m1/s1
InChIKeySPQCYWXPSBFOKE-RHSMWYFYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide (CID 7436085) is 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide is Cc1cc(N(C)C)nc(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)n1.
What is the InChIKey of 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide?
The InChIKey is SPQCYWXPSBFOKE-RHSMWYFYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-14-7-5-6-8-17(14)22-19(26)16-9-11-25(12-10-16)20-21-15(2)13-18(23-20)24(3)4/h13-14,16-17H,5-12H2,1-4H3,(H,22,26)/t14-,17-/m1/s1.
What are the key properties of 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide?
1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 7436085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).