9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C22H32ClN3O2 — CID 120993634

IUPAC9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCC1CC(=O)N(Cc3ccccc3)C1)C2
InChIInChI=1S/C22H31N3O2.ClH/c23-21-17-7-4-8-18(21)11-19(10-17)22(27)24-12-16-9-20(26)25(14-16)13-15-5-2-1-3-6-15;/h1-3,5-6,16-19,21H,4,7-14,23H2,(H,24,27);1H
InChIKeyQVOYUEQHWRFARB-UHFFFAOYSA-N
MW405.97 g/mol
LogP2.73
Rot. Bonds5

About 9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120993634) has the molecular formula C22H32ClN3O2 and a molecular weight of 405.97 g/mol. Its IUPAC name is 9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120993634
Molecular FormulaC22H32ClN3O2
Molecular Weight405.97 g/mol
Exact Mass405.22
IUPAC Name9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCC1CC(=O)N(Cc3ccccc3)C1)C2
InChIInChI=1S/C22H31N3O2.ClH/c23-21-17-7-4-8-18(21)11-19(10-17)22(27)24-12-16-9-20(26)25(14-16)13-15-5-2-1-3-6-15;/h1-3,5-6,16-19,21H,4,7-14,23H2,(H,24,27);1H
InChIKeyQVOYUEQHWRFARB-UHFFFAOYSA-N
XLogP2.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898464
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898459
3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 139022011
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 16919409
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
9-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986897
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
CID 3025488
9-amino-N-(1-benzyl-2-oxo-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992316
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120993634) is 9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)NCC1CC(=O)N(Cc3ccccc3)C1)C2.
What is the InChIKey of 9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is QVOYUEQHWRFARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2.ClH/c23-21-17-7-4-8-18(21)11-19(10-17)22(27)24-12-16-9-20(26)25(14-16)13-15-5-2-1-3-6-15;/h1-3,5-6,16-19,21H,4,7-14,23H2,(H,24,27);1H.
What are the key properties of 9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 405.97 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120993634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).