N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide

C16H22N4O — CID 45210581

IUPACN-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)C1=CCCCC1
InChIInChI=1S/C16H22N4O/c21-15(13-6-2-1-3-7-13)19-14-8-4-11-20(12-14)16-17-9-5-10-18-16/h5-6,9-10,14H,1-4,7-8,11-12H2,(H,19,21)
InChIKeyBHFTYIMZFAAHPH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.06
Rot. Bonds3

About N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide

N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide (PubChem CID 45210581) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide
PubChem CID45210581
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)C1=CCCCC1
InChIInChI=1S/C16H22N4O/c21-15(13-6-2-1-3-7-13)19-14-8-4-11-20(12-14)16-17-9-5-10-18-16/h5-6,9-10,14H,1-4,7-8,11-12H2,(H,19,21)
InChIKeyBHFTYIMZFAAHPH-UHFFFAOYSA-N
XLogP2.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide?
The IUPAC name of N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide (CID 45210581) is N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide.
What is the SMILES notation for N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide?
The canonical SMILES for N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide is O=C(NC1CCCN(c2ncccn2)C1)C1=CCCCC1.
What is the InChIKey of N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide?
The InChIKey is BHFTYIMZFAAHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c21-15(13-6-2-1-3-7-13)19-14-8-4-11-20(12-14)16-17-9-5-10-18-16/h5-6,9-10,14H,1-4,7-8,11-12H2,(H,19,21).
What are the key properties of N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide?
N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclohexene-1-carboxamide is sourced from PubChem (CID 45210581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).