(1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide

C21H25N3O — CID 121494484

IUPAC(1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESNC1[C@@H]2CC[C@H]1CN(C(=O)NCc1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C21H25N3O/c22-20-18-10-11-19(20)14-24(13-18)21(25)23-12-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18-20H,10-14,22H2,(H,23,25)/t18-,19+,20?
InChIKeyUKCOYHOFUYGDBC-YOFSQIOKSA-N
MW335.45 g/mol
LogP3.23
Rot. Bonds3

About (1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide

(1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 121494484) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID121494484
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESNC1[C@@H]2CC[C@H]1CN(C(=O)NCc1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C21H25N3O/c22-20-18-10-11-19(20)14-24(13-18)21(25)23-12-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18-20H,10-14,22H2,(H,23,25)/t18-,19+,20?
InChIKeyUKCOYHOFUYGDBC-YOFSQIOKSA-N
XLogP3.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
(3aR,6aS)-2-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 52934029
4-[[(3-aminopiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 61403953
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654576
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
(3aS,6aS)-N-benzyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide
CID 125243136
N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139846
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
N-benzylazonane-1-carboxamide
CID 130689649
N-[(4-ethylsulfonylphenyl)methyl]-3,4-diphenylpyrrolidine-1-carboxamide
CID 135136426
N-[(4-ethylsulfanylphenyl)methyl]-3,4-diphenylpyrrolidine-1-carboxamide
CID 135136433
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of (1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide (CID 121494484) is (1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for (1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for (1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide is NC1[C@@H]2CC[C@H]1CN(C(=O)NCc1ccc(-c3ccccc3)cc1)C2.
What is the InChIKey of (1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is UKCOYHOFUYGDBC-YOFSQIOKSA-N. The full InChI is InChI=1S/C21H25N3O/c22-20-18-10-11-19(20)14-24(13-18)21(25)23-12-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18-20H,10-14,22H2,(H,23,25)/t18-,19+,20?.
What are the key properties of (1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide?
(1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-amino-N-[(4-phenylphenyl)methyl]-3-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 121494484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).