4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide

C22H27N3O3 — CID 127163757

IUPAC4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-9-7-17(8-10-20)11-14-23-22(27)25-15-12-19(13-16-25)24-21(26)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyKUZHGWWOBMHUNM-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.84
Rot. Bonds6

About 4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide

4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 127163757) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
PubChem CID127163757
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-9-7-17(8-10-20)11-14-23-22(27)25-15-12-19(13-16-25)24-21(26)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyKUZHGWWOBMHUNM-UHFFFAOYSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
CID 11493037
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218579
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide (CID 127163757) is 4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide is COc1ccc(CCNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is KUZHGWWOBMHUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-20-9-7-17(8-10-20)11-14-23-22(27)25-15-12-19(13-16-25)24-21(26)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 127163757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).