3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide

C19H27N3O2 — CID 119824906

IUPAC3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(NC(=O)C2CC2)c1)C1CCNCC1
InChIInChI=1S/C19H27N3O2/c1-2-12-22(17-8-10-20-11-9-17)19(24)15-4-3-5-16(13-15)21-18(23)14-6-7-14/h3-5,13-14,17,20H,2,6-12H2,1H3,(H,21,23)
InChIKeySPWULLHAAVMGAT-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.64
Rot. Bonds6

About 3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide

3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 119824906) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
PubChem CID119824906
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(NC(=O)C2CC2)c1)C1CCNCC1
InChIInChI=1S/C19H27N3O2/c1-2-12-22(17-8-10-20-11-9-17)19(24)15-4-3-5-16(13-15)21-18(23)14-6-7-14/h3-5,13-14,17,20H,2,6-12H2,1H3,(H,21,23)
InChIKeySPWULLHAAVMGAT-UHFFFAOYSA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826265
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826264
N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43709947
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51321300
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537
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
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide (CID 119824906) is 3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1cccc(NC(=O)C2CC2)c1)C1CCNCC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is SPWULLHAAVMGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-12-22(17-8-10-20-11-9-17)19(24)15-4-3-5-16(13-15)21-18(23)14-6-7-14/h3-5,13-14,17,20H,2,6-12H2,1H3,(H,21,23).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide?
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 329.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide is sourced from PubChem (CID 119824906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).