(1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C19H32N4O2 — CID 124733202

IUPAC(1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCC[C@H](C(=O)NC3CC3)C1)CC2
InChIInChI=1S/C19H32N4O2/c1-22-16-7-8-17(22)12-23(10-9-16)19(25)21-15-4-2-3-13(11-15)18(24)20-14-5-6-14/h13-17H,2-12H2,1H3,(H,20,24)(H,21,25)/t13-,15+,16-,17-/m0/s1
InChIKeyKOQIYGBMDZAMLZ-ORQFMDKSSA-N
MW348.49 g/mol
LogP1.70
Rot. Bonds3

About (1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

(1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 124733202) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID124733202
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCC[C@H](C(=O)NC3CC3)C1)CC2
InChIInChI=1S/C19H32N4O2/c1-22-16-7-8-17(22)12-23(10-9-16)19(25)21-15-4-2-3-13(11-15)18(24)20-14-5-6-14/h13-17H,2-12H2,1H3,(H,20,24)(H,21,25)/t13-,15+,16-,17-/m0/s1
InChIKeyKOQIYGBMDZAMLZ-ORQFMDKSSA-N
XLogP1.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide with MolForge

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Related Compounds

9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667395
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528
(1S,6S)-9-methyl-N-(3-phenylcyclobutyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 129423882
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
4-(cyclohexanecarbonylamino)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 86862881
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044371
3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
CID 71936022
(3R)-3-hydroxy-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]piperidine-1-carboxamide
CID 129320761

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of (1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 124733202) is (1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for (1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CN1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCC[C@H](C(=O)NC3CC3)C1)CC2.
What is the InChIKey of (1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is KOQIYGBMDZAMLZ-ORQFMDKSSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-22-16-7-8-17(22)12-23(10-9-16)19(25)21-15-4-2-3-13(11-15)18(24)20-14-5-6-14/h13-17H,2-12H2,1H3,(H,20,24)(H,21,25)/t13-,15+,16-,17-/m0/s1.
What are the key properties of (1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
(1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 124733202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).