N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide

C22H33N3O2 — CID 119814649

IUPACN-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
SMILESCC(CC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)C1CCNCC1
InChIInChI=1S/C22H33N3O2/c1-16(17-10-12-23-13-11-17)14-21(26)24-19-8-5-9-20(15-19)25-22(27)18-6-3-2-4-7-18/h5,8-9,15-18,23H,2-4,6-7,10-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyNEHLCNSDNKDLKX-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.17
Rot. Bonds6

About N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide

N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide (PubChem CID 119814649) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
PubChem CID119814649
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
SMILESCC(CC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)C1CCNCC1
InChIInChI=1S/C22H33N3O2/c1-16(17-10-12-23-13-11-17)14-21(26)24-19-8-5-9-20(15-19)25-22(27)18-6-3-2-4-7-18/h5,8-9,15-18,23H,2-4,6-7,10-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyNEHLCNSDNKDLKX-UHFFFAOYSA-N
XLogP4.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119711633
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
CID 119700701
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-(3-cyclopentyloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119714969
N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
CID 119883178
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119740430
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
3-piperidin-4-yl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]butanamide
CID 119680975
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758092

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide (CID 119814649) is N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide is CC(CC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)C1CCNCC1.
What is the InChIKey of N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide?
The InChIKey is NEHLCNSDNKDLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16(17-10-12-23-13-11-17)14-21(26)24-19-8-5-9-20(15-19)25-22(27)18-6-3-2-4-7-18/h5,8-9,15-18,23H,2-4,6-7,10-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide?
N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide has a molecular weight of 371.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 119814649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).