N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide

C20H27N3O2 — CID 653821

IUPACN-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESO=C(NC1CC2CCCC(C1)N2C(=O)NCc1ccccc1)C1CC1
InChIInChI=1S/C20H27N3O2/c24-19(15-9-10-15)22-16-11-17-7-4-8-18(12-16)23(17)20(25)21-13-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,21,25)(H,22,24)
InChIKeyILHKCWHWPKWFAT-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.81
Rot. Bonds4

About N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide

N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 653821) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID653821
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESO=C(NC1CC2CCCC(C1)N2C(=O)NCc1ccccc1)C1CC1
InChIInChI=1S/C20H27N3O2/c24-19(15-9-10-15)22-16-11-17-7-4-8-18(12-16)23(17)20(25)21-13-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,21,25)(H,22,24)
InChIKeyILHKCWHWPKWFAT-UHFFFAOYSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 748213
3-(Cyclopropanecarbonyl-amino)-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid p-tolylamide
CID 24792578
1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45210433
N-[(1S)-3-[4-[benzylcarbamoyl(ethyl)amino]-1-piperidyl]-1-phenyl-butyl]cyclobutanecarboxamide
CID 44590750
1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
CID 3222727
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
N-[9-(4-Methyl-benzyl)-9-aza-bicyclo[3.3.1]non-3-yl]-acetamide
CID 24746947
N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide
CID 604036
1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49782571
Pentanamide, N-(1-(phenylmethyl)-4-piperidinyl)-2-propyl-
CID 778887
(4S,5S,6R)-5-acetyl-1-benzyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one
CID 16745555
Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-cyclohexylamide
CID 645918

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 653821) is N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide is O=C(NC1CC2CCCC(C1)N2C(=O)NCc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is ILHKCWHWPKWFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(15-9-10-15)22-16-11-17-7-4-8-18(12-16)23(17)20(25)21-13-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,21,25)(H,22,24).
What are the key properties of N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 653821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).