cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide

C26H33N3O — CID 166076220

IUPACcyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(=Cc2cccc(N3CCCC3)c2)CC1.c1ccc(C2CC2)cc1
InChIInChI=1S/C17H23N3O.C9H10/c18-17(21)20-10-6-14(7-11-20)12-15-4-3-5-16(13-15)19-8-1-2-9-19;1-2-4-8(5-3-1)9-6-7-9/h3-5,12-13H,1-2,6-11H2,(H2,18,21);1-5,9H,6-7H2
InChIKeyGNVXZBMGIMSMGS-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.41
Rot. Bonds3

About cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide

cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide (PubChem CID 166076220) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Namecyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide
PubChem CID166076220
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Namecyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(=Cc2cccc(N3CCCC3)c2)CC1.c1ccc(C2CC2)cc1
InChIInChI=1S/C17H23N3O.C9H10/c18-17(21)20-10-6-14(7-11-20)12-15-4-3-5-16(13-15)19-8-1-2-9-19;1-2-4-8(5-3-1)9-6-7-9/h3-5,12-13H,1-2,6-11H2,(H2,18,21);1-5,9H,6-7H2
InChIKeyGNVXZBMGIMSMGS-UHFFFAOYSA-N
XLogP5.41
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide?
The IUPAC name of cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide (CID 166076220) is cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide.
What is the SMILES notation for cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide?
The canonical SMILES for cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide is NC(=O)N1CCC(=Cc2cccc(N3CCCC3)c2)CC1.c1ccc(C2CC2)cc1.
What is the InChIKey of cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide?
The InChIKey is GNVXZBMGIMSMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C9H10/c18-17(21)20-10-6-14(7-11-20)12-15-4-3-5-16(13-15)19-8-1-2-9-19;1-2-4-8(5-3-1)9-6-7-9/h3-5,12-13H,1-2,6-11H2,(H2,18,21);1-5,9H,6-7H2.
What are the key properties of cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide?
cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 166076220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).