N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide

C22H27N3O2 — CID 119647060

IUPACN-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
SMILESCCNCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-2-23-16-17-12-14-25(15-13-17)22(27)19-8-10-20(11-9-19)24-21(26)18-6-4-3-5-7-18/h3-11,17,23H,2,12-16H2,1H3,(H,24,26)
InChIKeyCEHWWLUKWQJSFC-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.40
Rot. Bonds6

About N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide

N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide (PubChem CID 119647060) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
PubChem CID119647060
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
SMILESCCNCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-2-23-16-17-12-14-25(15-13-17)22(27)19-8-10-20(11-9-19)24-21(26)18-6-4-3-5-7-18/h3-11,17,23H,2,12-16H2,1H3,(H,24,26)
InChIKeyCEHWWLUKWQJSFC-UHFFFAOYSA-N
XLogP3.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119646975
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119645905
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide
CID 34221114
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide (CID 119647060) is N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide is CCNCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide?
The InChIKey is CEHWWLUKWQJSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-23-16-17-12-14-25(15-13-17)22(27)19-8-10-20(11-9-19)24-21(26)18-6-4-3-5-7-18/h3-11,17,23H,2,12-16H2,1H3,(H,24,26).
What are the key properties of N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide?
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 119647060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).