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

C17H24N4O2 — CID 120574123

IUPAC3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C17H24N4O2/c1-11-15(6-3-9-18-11)21-16(22)12-4-2-5-14(10-12)20-17(23)19-13-7-8-13/h2,4-5,10-11,13,15,18H,3,6-9H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyDZJDSJSSTAMYER-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.84
Rot. Bonds4

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

3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120574123) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120574123
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C17H24N4O2/c1-11-15(6-3-9-18-11)21-16(22)12-4-2-5-14(10-12)20-17(23)19-13-7-8-13/h2,4-5,10-11,13,15,18H,3,6-9H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyDZJDSJSSTAMYER-UHFFFAOYSA-N
XLogP1.84
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574822
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-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
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
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide
CID 120575680
N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride
CID 120576039
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide (CID 120574123) is 3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide is CC1NCCCC1NC(=O)c1cccc(NC(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is DZJDSJSSTAMYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-15(6-3-9-18-11)21-16(22)12-4-2-5-14(10-12)20-17(23)19-13-7-8-13/h2,4-5,10-11,13,15,18H,3,6-9H2,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide?
3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 316.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120574123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).