N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C23H30N2O2 — CID 47026013

IUPACN-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCC(C1CC1)N(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C1CC1
InChIInChI=1S/C23H30N2O2/c1-17(19-8-9-19)25(21-10-11-21)23(27)20-13-15-24(16-14-20)22(26)12-7-18-5-3-2-4-6-18/h2-7,12,17,19-21H,8-11,13-16H2,1H3/b12-7+
InChIKeyLQSABVRUWHUSSC-KPKJPENVSA-N
MW366.50 g/mol
LogP3.73
Rot. Bonds6

About N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 47026013) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID47026013
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC NameN-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCC(C1CC1)N(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C1CC1
InChIInChI=1S/C23H30N2O2/c1-17(19-8-9-19)25(21-10-11-21)23(27)20-13-15-24(16-14-20)22(26)12-7-18-5-3-2-4-6-18/h2-7,12,17,19-21H,8-11,13-16H2,1H3/b12-7+
InChIKeyLQSABVRUWHUSSC-KPKJPENVSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-N-(2-methylpropyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 134058612
N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 51323600
methyl 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78878024
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 75199924
N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 47090845
(E)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 26773682
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
(1-amino-1-oxopropan-2-yl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate
CID 46792726
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
N-(2,2-dimethylpropyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56531034
ethane;1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbaldehyde
CID 91411827

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 47026013) is N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is CC(C1CC1)N(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is LQSABVRUWHUSSC-KPKJPENVSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17(19-8-9-19)25(21-10-11-21)23(27)20-13-15-24(16-14-20)22(26)12-7-18-5-3-2-4-6-18/h2-7,12,17,19-21H,8-11,13-16H2,1H3/b12-7+.
What are the key properties of N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 47026013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).