1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide

C18H25N3O2 — CID 110668128

IUPAC1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C18H25N3O2/c1-2-19-17(22)14-9-11-21(12-10-14)16-7-5-15(6-8-16)20-18(23)13-3-4-13/h5-8,13-14H,2-4,9-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyYVDDTMYNAXYILK-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.39
Rot. Bonds5

About 1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide

1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 110668128) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
PubChem CID110668128
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C18H25N3O2/c1-2-19-17(22)14-9-11-21(12-10-14)16-7-5-15(6-8-16)20-18(23)13-3-4-13/h5-8,13-14H,2-4,9-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyYVDDTMYNAXYILK-UHFFFAOYSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate
CID 110668148
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 39446044
ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 41491893
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152471
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide
CID 172634540

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide (CID 110668128) is 1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(c2ccc(NC(=O)C3CC3)cc2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is YVDDTMYNAXYILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-19-17(22)14-9-11-21(12-10-14)16-7-5-15(6-8-16)20-18(23)13-3-4-13/h5-8,13-14H,2-4,9-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide?
1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 110668128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).