N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide

C27H27N3O3 — CID 108550400

IUPACN-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C27H27N3O3/c31-25(19-28-26(32)22-9-5-2-6-10-22)29-24-15-17-30(18-16-24)27(33)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,24H,15-19H2,(H,28,32)(H,29,31)
InChIKeyHHTGOQQPVOOMQT-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.50
Rot. Bonds6

About N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide

N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide (PubChem CID 108550400) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
PubChem CID108550400
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C27H27N3O3/c31-25(19-28-26(32)22-9-5-2-6-10-22)29-24-15-17-30(18-16-24)27(33)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,24H,15-19H2,(H,28,32)(H,29,31)
InChIKeyHHTGOQQPVOOMQT-UHFFFAOYSA-N
XLogP3.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550446
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550471
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
N-[2-oxo-2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550474
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550402
N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559770
N-[2-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559772
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
CID 108556350
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide (CID 108550400) is N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide?
The InChIKey is HHTGOQQPVOOMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c31-25(19-28-26(32)22-9-5-2-6-10-22)29-24-15-17-30(18-16-24)27(33)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,24H,15-19H2,(H,28,32)(H,29,31).
What are the key properties of N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide?
N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide is sourced from PubChem (CID 108550400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).