3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide

C20H29N3O2 — CID 120574822

IUPAC3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C20H29N3O2/c1-14-18(11-6-12-21-14)23-20(25)16-9-5-10-17(13-16)22-19(24)15-7-3-2-4-8-15/h5,9-10,13-15,18,21H,2-4,6-8,11-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyULLHJPYJXXFKEB-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.08
Rot. Bonds4

About 3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide

3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120574822) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120574822
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C20H29N3O2/c1-14-18(11-6-12-21-14)23-20(25)16-9-5-10-17(13-16)22-19(24)15-7-3-2-4-8-15/h5,9-10,13-15,18,21H,2-4,6-8,11-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyULLHJPYJXXFKEB-UHFFFAOYSA-N
XLogP3.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 120575116
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 120574688
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 120577421
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120570628
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide
CID 120575680
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide (CID 120574822) is 3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide is CC1NCCCC1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is ULLHJPYJXXFKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-18(11-6-12-21-14)23-20(25)16-9-5-10-17(13-16)22-19(24)15-7-3-2-4-8-15/h5,9-10,13-15,18,21H,2-4,6-8,11-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide?
3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 343.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120574822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).