N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide

C22H33N3O2 — CID 51116457

IUPACN-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)CN1CCC(C(=O)N2CCCC(C)C2)CC1)c1ccccc1
InChIInChI=1S/C22H33N3O2/c1-3-25(20-9-5-4-6-10-20)21(26)17-23-14-11-19(12-15-23)22(27)24-13-7-8-18(2)16-24/h4-6,9-10,18-19H,3,7-8,11-17H2,1-2H3
InChIKeyHXBPWKDFEGWFHG-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.01
Rot. Bonds5

About N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide

N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide (PubChem CID 51116457) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide
PubChem CID51116457
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)CN1CCC(C(=O)N2CCCC(C)C2)CC1)c1ccccc1
InChIInChI=1S/C22H33N3O2/c1-3-25(20-9-5-4-6-10-20)21(26)17-23-14-11-19(12-15-23)22(27)24-13-7-8-18(2)16-24/h4-6,9-10,18-19H,3,7-8,11-17H2,1-2H3
InChIKeyHXBPWKDFEGWFHG-UHFFFAOYSA-N
XLogP3.01
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119933615
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone
CID 1096649
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3148930
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147543
2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119925384
[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone
CID 807320
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 163328033

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide (CID 51116457) is N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide is CCN(C(=O)CN1CCC(C(=O)N2CCCC(C)C2)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide?
The InChIKey is HXBPWKDFEGWFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-25(20-9-5-4-6-10-20)21(26)17-23-14-11-19(12-15-23)22(27)24-13-7-8-18(2)16-24/h4-6,9-10,18-19H,3,7-8,11-17H2,1-2H3.
What are the key properties of N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide?
N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide has a molecular weight of 371.53 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 51116457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).