9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide

C22H31N3O2 — CID 120991016

IUPAC9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1ccc(N2CCCC(NC(=O)C3CC4CCCC(C3)C4N)C2=O)cc1
InChIInChI=1S/C22H31N3O2/c1-14-7-9-18(10-8-14)25-11-3-6-19(22(25)27)24-21(26)17-12-15-4-2-5-16(13-17)20(15)23/h7-10,15-17,19-20H,2-6,11-13,23H2,1H3,(H,24,26)
InChIKeyHERUETXKFJQTRP-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.76
Rot. Bonds3

About 9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120991016) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120991016
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1ccc(N2CCCC(NC(=O)C3CC4CCCC(C3)C4N)C2=O)cc1
InChIInChI=1S/C22H31N3O2/c1-14-7-9-18(10-8-14)25-11-3-6-19(22(25)27)24-21(26)17-12-15-4-2-5-16(13-17)20(15)23/h7-10,15-17,19-20H,2-6,11-13,23H2,1H3,(H,24,26)
InChIKeyHERUETXKFJQTRP-UHFFFAOYSA-N
XLogP2.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide
CID 119336564
2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
CID 119336545
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
9-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984328
4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride
CID 119806345
1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 167807431
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 23394255
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 138995782
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185398
3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119781173
2-amino-2-(4-methylphenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 120668837

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120991016) is 9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide is Cc1ccc(N2CCCC(NC(=O)C3CC4CCCC(C3)C4N)C2=O)cc1.
What is the InChIKey of 9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is HERUETXKFJQTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-14-7-9-18(10-8-14)25-11-3-6-19(22(25)27)24-21(26)17-12-15-4-2-5-16(13-17)20(15)23/h7-10,15-17,19-20H,2-6,11-13,23H2,1H3,(H,24,26).
What are the key properties of 9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120991016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).