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

C19H28N4O2 — CID 119826265

IUPAC3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(NC(=O)NC2CC2)c1)C1CCNCC1
InChIInChI=1S/C19H28N4O2/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)
InChIKeyGAEPCCRQXZJYOK-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.57
Rot. Bonds6

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

3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 119826265) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide
PubChem CID119826265
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(NC(=O)NC2CC2)c1)C1CCNCC1
InChIInChI=1S/C19H28N4O2/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)
InChIKeyGAEPCCRQXZJYOK-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826264
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-(3-ethylphenyl)-3-piperidin-4-ylurea
CID 91143160
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
3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823512
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide (CID 119826265) is 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1cccc(NC(=O)NC2CC2)c1)C1CCNCC1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is GAEPCCRQXZJYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/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).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide?
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 344.46 g/mol, XLogP of 2.57, 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 is sourced from PubChem (CID 119826265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).