N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide

C20H29N3O2 — CID 32531017

IUPACN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)C2(c3cccc(C)c3)CCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-15-5-3-6-16(13-15)20(9-4-10-20)19(25)22-17-7-11-23(12-8-17)14-18(24)21-2/h3,5-6,13,17H,4,7-12,14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBBEGWLHGKMDDEV-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.74
Rot. Bonds5

About N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide

N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 32531017) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide
PubChem CID32531017
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)C2(c3cccc(C)c3)CCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-15-5-3-6-16(13-15)20(9-4-10-20)19(25)22-17-7-11-23(12-8-17)14-18(24)21-2/h3,5-6,13,17H,4,7-12,14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBBEGWLHGKMDDEV-UHFFFAOYSA-N
XLogP1.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32668077
1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide
CID 56568898
1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55745166
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 32525655
1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853481
1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120598674
tert-butyl 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylate
CID 52731131
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 128649441
1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853473
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 39279831
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347
2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 134047573

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide (CID 32531017) is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide is CNC(=O)CN1CCC(NC(=O)C2(c3cccc(C)c3)CCC2)CC1.
What is the InChIKey of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is BBEGWLHGKMDDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-5-3-6-16(13-15)20(9-4-10-20)19(25)22-17-7-11-23(12-8-17)14-18(24)21-2/h3,5-6,13,17H,4,7-12,14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide?
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 32531017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).