2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide

C18H27ClN4O2 — CID 119824208

IUPAC2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide
SMILESCCCN(C(=O)CNC(=O)NCc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C18H27ClN4O2/c1-2-11-23(16-7-9-20-10-8-16)17(24)13-22-18(25)21-12-14-3-5-15(19)6-4-14/h3-6,16,20H,2,7-13H2,1H3,(H2,21,22,25)
InChIKeySCJXTVMYIFKNFW-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.13
Rot. Bonds7

About 2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide

2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide (PubChem CID 119824208) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide
PubChem CID119824208
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide
SMILESCCCN(C(=O)CNC(=O)NCc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C18H27ClN4O2/c1-2-11-23(16-7-9-20-10-8-16)17(24)13-22-18(25)21-12-14-3-5-15(19)6-4-14/h3-6,16,20H,2,7-13H2,1H3,(H2,21,22,25)
InChIKeySCJXTVMYIFKNFW-UHFFFAOYSA-N
XLogP2.13
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide
CID 119442370
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
CID 119451180
2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide
CID 60806745
1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide
CID 119825391
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 119826378
4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
CID 119824702
4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825087
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide (CID 119824208) is 2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide is CCCN(C(=O)CNC(=O)NCc1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide?
The InChIKey is SCJXTVMYIFKNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c1-2-11-23(16-7-9-20-10-8-16)17(24)13-22-18(25)21-12-14-3-5-15(19)6-4-14/h3-6,16,20H,2,7-13H2,1H3,(H2,21,22,25).
What are the key properties of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide?
2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide has a molecular weight of 366.89 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide is sourced from PubChem (CID 119824208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).