N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide

C17H24N2O — CID 95580679

IUPACN-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide
SMILESCN1CCC[C@@H](NC(=O)C2(c3ccccc3)CCC2)C1
InChIInChI=1S/C17H24N2O/c1-19-12-5-9-15(13-19)18-16(20)17(10-6-11-17)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyDRBPGQDMFLMPTP-OAHLLOKOSA-N
MW272.39 g/mol
LogP2.32
Rot. Bonds3

About N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide

N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 95580679) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide
PubChem CID95580679
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide
SMILESCN1CCC[C@@H](NC(=O)C2(c3ccccc3)CCC2)C1
InChIInChI=1S/C17H24N2O/c1-19-12-5-9-15(13-19)18-16(20)17(10-6-11-17)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyDRBPGQDMFLMPTP-OAHLLOKOSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 42307959
N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-phenylcyclobutane-1-carboxamide
CID 52910566
(2S,4S)-1-methyl-4-[(1-phenylcyclohexanecarbonyl)amino]pyrrolidine-2-carboxylic acid
CID 91760992
3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
1-phenyl-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide
CID 104645396
1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
CID 28849709
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
N-[(4-methylmorpholin-2-yl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 49094024
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide (CID 95580679) is N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide is CN1CCC[C@@H](NC(=O)C2(c3ccccc3)CCC2)C1.
What is the InChIKey of N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is DRBPGQDMFLMPTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19-12-5-9-15(13-19)18-16(20)17(10-6-11-17)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide?
N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 95580679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).