2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide

C19H29N3O — CID 121108728

IUPAC2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESO=C(CC1CCCCC1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H29N3O/c23-19(14-16-4-2-1-3-5-16)21-15-17-8-12-22(13-9-17)18-6-10-20-11-7-18/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H,21,23)
InChIKeyIWJDCTDQFRUXHY-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.38
Rot. Bonds5

About 2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide

2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 121108728) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
PubChem CID121108728
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESO=C(CC1CCCCC1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H29N3O/c23-19(14-16-4-2-1-3-5-16)21-15-17-8-12-22(13-9-17)18-6-10-20-11-7-18/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H,21,23)
InChIKeyIWJDCTDQFRUXHY-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107666
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
N-phenyl-2-(1-pyridin-4-ylpiperidin-4-yl)acetamide
CID 140968172
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108772
2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263544
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
2-(2-methoxyphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263567
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide
CID 121109192

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide (CID 121108728) is 2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide is O=C(CC1CCCCC1)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is IWJDCTDQFRUXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19(14-16-4-2-1-3-5-16)21-15-17-8-12-22(13-9-17)18-6-10-20-11-7-18/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H,21,23).
What are the key properties of 2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 315.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 121108728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).