N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide

C15H20ClN3O2 — CID 43701431

IUPACN-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C15H20ClN3O2/c1-2-14(20)18-11-3-4-12(16)13(9-11)19-15(21)10-5-7-17-8-6-10/h3-4,9-10,17H,2,5-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyWPNDZHFQPDQJLY-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.63
Rot. Bonds4

About N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide

N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide (PubChem CID 43701431) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
PubChem CID43701431
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C15H20ClN3O2/c1-2-14(20)18-11-3-4-12(16)13(9-11)19-15(21)10-5-7-17-8-6-10/h3-4,9-10,17H,2,5-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyWPNDZHFQPDQJLY-UHFFFAOYSA-N
XLogP2.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119707641
N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide
CID 75496705
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-[4-chloro-3-(cyclopentylamino)phenyl]propanamide
CID 43679054
N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55798979
4-[[2-chloro-5-(propanoylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076486
N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide
CID 80553647
N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]cyclopropanecarboxamide
CID 17174622
N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide
CID 61016600

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide (CID 43701431) is N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCNCC2)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is WPNDZHFQPDQJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-2-14(20)18-11-3-4-12(16)13(9-11)19-15(21)10-5-7-17-8-6-10/h3-4,9-10,17H,2,5-8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide?
N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43701431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).