N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide

C20H29N3O — CID 1461805

IUPACN-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)N1CCCC1
InChIInChI=1S/C20H29N3O/c24-20(22-11-4-5-12-22)21-17-13-18-9-6-10-19(14-17)23(18)15-16-7-2-1-3-8-16/h1-3,7-8,17-19H,4-6,9-15H2,(H,21,24)/t17?,18-,19+
InChIKeyPHZUGQGRQGDRGF-YQQQUEKLSA-N
MW327.47 g/mol
LogP3.38
Rot. Bonds3

About N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide

N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide (PubChem CID 1461805) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide
PubChem CID1461805
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)N1CCCC1
InChIInChI=1S/C20H29N3O/c24-20(22-11-4-5-12-22)21-17-13-18-9-6-10-19(14-17)23(18)15-16-7-2-1-3-8-16/h1-3,7-8,17-19H,4-6,9-15H2,(H,21,24)/t17?,18-,19+
InChIKeyPHZUGQGRQGDRGF-YQQQUEKLSA-N
XLogP3.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide
CID 3741735
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide
CID 119886001
methyl 3-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoylamino]piperidine-1-carboxylate
CID 86937356
1-benzyl-3-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 3217267
9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 141367299
1-[(1S,5R)-9-[(4-chlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-phenylurea
CID 1467219
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-chlorophenyl)urea
CID 43813857
2-chloro-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110280
1-[(1S,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methylphenyl)urea
CID 1460523
1-[(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-methoxyphenyl)urea
CID 98110150

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide (CID 1461805) is N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide is O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)N1CCCC1.
What is the InChIKey of N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is PHZUGQGRQGDRGF-YQQQUEKLSA-N. The full InChI is InChI=1S/C20H29N3O/c24-20(22-11-4-5-12-22)21-17-13-18-9-6-10-19(14-17)23(18)15-16-7-2-1-3-8-16/h1-3,7-8,17-19H,4-6,9-15H2,(H,21,24)/t17?,18-,19+.
What are the key properties of N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide?
N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 1461805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).