N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide

C17H25N3O — CID 103775963

IUPACN-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNC1CCN(c2ccccc2)CC1)C1CC1
InChIInChI=1S/C17H25N3O/c21-17(14-6-7-14)19-11-10-18-15-8-12-20(13-9-15)16-4-2-1-3-5-16/h1-5,14-15,18H,6-13H2,(H,19,21)
InChIKeyBXYJEFVTTSAWAW-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.77
Rot. Bonds6

About N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 103775963) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID103775963
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNC1CCN(c2ccccc2)CC1)C1CC1
InChIInChI=1S/C17H25N3O/c21-17(14-6-7-14)19-11-10-18-15-8-12-20(13-9-15)16-4-2-1-3-5-16/h1-5,14-15,18H,6-13H2,(H,19,21)
InChIKeyBXYJEFVTTSAWAW-UHFFFAOYSA-N
XLogP1.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115706396
N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 115572811
2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
CID 122127131
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
CID 72921042
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
CID 103779062
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea
CID 83110952
1-(1,3-benzoxazol-2-yl)-N-[2-(cycloheptylamino)ethyl]piperidine-4-carboxamide
CID 119620972
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide (CID 103775963) is N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide is O=C(NCCNC1CCN(c2ccccc2)CC1)C1CC1.
What is the InChIKey of N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is BXYJEFVTTSAWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(14-6-7-14)19-11-10-18-15-8-12-20(13-9-15)16-4-2-1-3-5-16/h1-5,14-15,18H,6-13H2,(H,19,21).
What are the key properties of N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 103775963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).