1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide

C20H31N3O — CID 95218861

IUPAC1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide
SMILESCc1ccc(CN2CCC[C@H](CCNC(=O)C3(N)CCC3)C2)cc1
InChIInChI=1S/C20H31N3O/c1-16-5-7-18(8-6-16)15-23-13-2-4-17(14-23)9-12-22-19(24)20(21)10-3-11-20/h5-8,17H,2-4,9-15,21H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyKXYOQUDIUTYOBK-QGZVFWFLSA-N
MW329.49 g/mol
LogP2.59
Rot. Bonds6

About 1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide

1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide (PubChem CID 95218861) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide
PubChem CID95218861
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide
SMILESCc1ccc(CN2CCC[C@H](CCNC(=O)C3(N)CCC3)C2)cc1
InChIInChI=1S/C20H31N3O/c1-16-5-7-18(8-6-16)15-23-13-2-4-17(14-23)9-12-22-19(24)20(21)10-3-11-20/h5-8,17H,2-4,9-15,21H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyKXYOQUDIUTYOBK-QGZVFWFLSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide
CID 56723609
4-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-2-one
CID 83982730
1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845495
2-methyl-3-[1-[(4-methylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 83982703
4-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]butan-2-one
CID 83980859
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
CID 124753121
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214307
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146122570
1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine
CID 83982714
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
CID 83982840

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide (CID 95218861) is 1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide is Cc1ccc(CN2CCC[C@H](CCNC(=O)C3(N)CCC3)C2)cc1.
What is the InChIKey of 1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide?
The InChIKey is KXYOQUDIUTYOBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16-5-7-18(8-6-16)15-23-13-2-4-17(14-23)9-12-22-19(24)20(21)10-3-11-20/h5-8,17H,2-4,9-15,21H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide?
1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 95218861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).