N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide

C22H28N4O2 — CID 119700701

IUPACN-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C1CCNCC1
InChIInChI=1S/C22H28N4O2/c1-16(17-10-12-23-13-11-17)14-21(27)24-19-8-5-9-20(15-19)26-22(28)25-18-6-3-2-4-7-18/h2-9,15-17,23H,10-14H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyQSYLIVPHVVOVDW-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.29
Rot. Bonds6

About N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide

N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide (PubChem CID 119700701) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
PubChem CID119700701
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C1CCNCC1
InChIInChI=1S/C22H28N4O2/c1-16(17-10-12-23-13-11-17)14-21(27)24-19-8-5-9-20(15-19)26-22(28)25-18-6-3-2-4-7-18/h2-9,15-17,23H,10-14H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyQSYLIVPHVVOVDW-UHFFFAOYSA-N
XLogP4.29
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119814649
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
CID 119883178
N-(3-cyclopentyloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119714969
N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119740430
3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869797
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119723062
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758092

Frequently Asked Questions

What is the IUPAC name of N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide (CID 119700701) is N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C1CCNCC1.
What is the InChIKey of N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is QSYLIVPHVVOVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16(17-10-12-23-13-11-17)14-21(27)24-19-8-5-9-20(15-19)26-22(28)25-18-6-3-2-4-7-18/h2-9,15-17,23H,10-14H2,1H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide?
N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide has a molecular weight of 380.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119700701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).