3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C19H29ClN4O2 — CID 119826264

IUPAC3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(NC(=O)NC2CC2)c1)C1CCNCC1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-2-12-23(17-8-10-20-11-9-17)18(24)14-4-3-5-16(13-14)22-19(25)21-15-6-7-15;/h3-5,13,15,17,20H,2,6-12H2,1H3,(H2,21,22,25);1H
InChIKeyFUHGEOMADIZCDS-UHFFFAOYSA-N
MW380.92 g/mol
LogP3.00
Rot. Bonds6

About 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119826264) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119826264
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(NC(=O)NC2CC2)c1)C1CCNCC1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-2-12-23(17-8-10-20-11-9-17)18(24)14-4-3-5-16(13-14)22-19(25)21-15-6-7-15;/h3-5,13,15,17,20H,2,6-12H2,1H3,(H2,21,22,25);1H
InChIKeyFUHGEOMADIZCDS-UHFFFAOYSA-N
XLogP3.00
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826265
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823512
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-(3-ethylphenyl)-3-piperidin-4-ylurea
CID 91143160
N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119532525
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 119530413
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119826264) is 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1cccc(NC(=O)NC2CC2)c1)C1CCNCC1.Cl.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is FUHGEOMADIZCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-2-12-23(17-8-10-20-11-9-17)18(24)14-4-3-5-16(13-14)22-19(25)21-15-6-7-15;/h3-5,13,15,17,20H,2,6-12H2,1H3,(H2,21,22,25);1H.
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119826264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).