N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C26H26ClN3O3 — CID 55798979

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C26H26ClN3O3/c1-2-24(31)28-19-10-11-22(27)23(16-19)29-25(32)18-12-14-30(15-13-18)26(33)21-9-5-7-17-6-3-4-8-20(17)21/h3-11,16,18H,2,12-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyIMILLDMVFWFYJC-UHFFFAOYSA-N
MW463.97 g/mol
LogP5.33
Rot. Bonds5

About N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55798979) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID55798979
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C26H26ClN3O3/c1-2-24(31)28-19-10-11-22(27)23(16-19)29-25(32)18-12-14-30(15-13-18)26(33)21-9-5-7-17-6-3-4-8-20(17)21/h3-11,16,18H,2,12-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyIMILLDMVFWFYJC-UHFFFAOYSA-N
XLogP5.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 131917959
N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55884883
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43701431
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
N-(4-fluoro-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25492477
N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 120568777
N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55780129

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 55798979) is N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is IMILLDMVFWFYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-2-24(31)28-19-10-11-22(27)23(16-19)29-25(32)18-12-14-30(15-13-18)26(33)21-9-5-7-17-6-3-4-8-20(17)21/h3-11,16,18H,2,12-15H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55798979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).