4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide

C19H28N4O2 — CID 94611653

IUPAC4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide
SMILESC[C@H]1CCCN(CCNC(=O)c2ccc(NC(=O)NC3CC3)cc2)C1
InChIInChI=1S/C19H28N4O2/c1-14-3-2-11-23(13-14)12-10-20-18(24)15-4-6-16(7-5-15)21-19(25)22-17-8-9-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,24)(H2,21,22,25)/t14-/m0/s1
InChIKeyVPLIGHKUROSISS-AWEZNQCLSA-N
MW344.46 g/mol
LogP2.43
Rot. Bonds6

About 4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide

4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide (PubChem CID 94611653) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide
PubChem CID94611653
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide
SMILESC[C@H]1CCCN(CCNC(=O)c2ccc(NC(=O)NC3CC3)cc2)C1
InChIInChI=1S/C19H28N4O2/c1-14-3-2-11-23(13-14)12-10-20-18(24)15-4-6-16(7-5-15)21-19(25)22-17-8-9-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,24)(H2,21,22,25)/t14-/m0/s1
InChIKeyVPLIGHKUROSISS-AWEZNQCLSA-N
XLogP2.43
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 51961645
1-[2-methyl-5-[2-[(3R)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 99845473
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 60508760
methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate
CID 87007007
6-methyl-N-[4-[3-(3-methylpiperidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22554078
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N,N-dimethyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propylcarbamothioylamino]benzamide
CID 100739628
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide (CID 94611653) is 4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide is C[C@H]1CCCN(CCNC(=O)c2ccc(NC(=O)NC3CC3)cc2)C1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide?
The InChIKey is VPLIGHKUROSISS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-3-2-11-23(13-14)12-10-20-18(24)15-4-6-16(7-5-15)21-19(25)22-17-8-9-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,24)(H2,21,22,25)/t14-/m0/s1.
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide?
4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide has a molecular weight of 344.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 94611653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).