N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide

C21H33N5O — CID 53146198

IUPACN-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2cnc(N3CCCCC3)nc2)CC1
InChIInChI=1S/C21H33N5O/c27-20(24-18-7-3-1-4-8-18)17-9-13-25(14-10-17)19-15-22-21(23-16-19)26-11-5-2-6-12-26/h15-18H,1-14H2,(H,24,27)
InChIKeyNFAKGLQGUWKASY-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.13
Rot. Bonds4

About N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53146198) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53146198
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC NameN-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2cnc(N3CCCCC3)nc2)CC1
InChIInChI=1S/C21H33N5O/c27-20(24-18-7-3-1-4-8-18)17-9-13-25(14-10-17)19-15-22-21(23-16-19)26-11-5-2-6-12-26/h15-18H,1-14H2,(H,24,27)
InChIKeyNFAKGLQGUWKASY-UHFFFAOYSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(azepan-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53146285
piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53146162
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126
N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165628
N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146132
1-[2-(azepan-1-yl)pyrimidin-5-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 53146288
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183
N-(1-phenylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146134
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
(4-methylpiperidin-1-yl)-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53146160
N-(3-methoxyphenyl)-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146185

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53146198) is N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(c2cnc(N3CCCCC3)nc2)CC1.
What is the InChIKey of N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is NFAKGLQGUWKASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c27-20(24-18-7-3-1-4-8-18)17-9-13-25(14-10-17)19-15-22-21(23-16-19)26-11-5-2-6-12-26/h15-18H,1-14H2,(H,24,27).
What are the key properties of N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53146198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).