1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide

C32H36N4O2 — CID 91164144

IUPAC1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide
SMILESN#CCCN(C(=O)C1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1)C1CC1
InChIInChI=1S/C32H36N4O2/c33-16-6-18-36(27-12-13-27)31(37)25-9-5-17-35(22-25)26-14-19-34(20-15-26)32(38)30-28-10-3-1-7-23(28)21-24-8-2-4-11-29(24)30/h1-4,7-8,10-11,21,25-27H,5-6,9,12-15,17-20,22H2
InChIKeyDPPTVWNGLFVJJM-UHFFFAOYSA-N
MW508.67 g/mol
LogP5.21
Rot. Bonds6

About 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide

1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 91164144) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide
PubChem CID91164144
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC Name1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide
SMILESN#CCCN(C(=O)C1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1)C1CC1
InChIInChI=1S/C32H36N4O2/c33-16-6-18-36(27-12-13-27)31(37)25-9-5-17-35(22-25)26-14-19-34(20-15-26)32(38)30-28-10-3-1-7-23(28)21-24-8-2-4-11-29(24)30/h1-4,7-8,10-11,21,25-27H,5-6,9,12-15,17-20,22H2
InChIKeyDPPTVWNGLFVJJM-UHFFFAOYSA-N
XLogP5.21
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-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

(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
CID 25124946
1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 87953121
[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 22263076
(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 10174028
[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22263182
anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide
CID 143762942
[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclohexylmethanone
CID 46880209
[(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(2-ethylpiperazin-1-yl)methanone
CID 23589178
7-[1-(anthracene-9-carbonyl)piperidin-4-yl]-4-oxo-7-azaspiro[4.5]decane-3-carbonitrile
CID 59373621
8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one
CID 57400701
(3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
CID 95553467
1-(4-chlorobenzoyl)-N-(2-cyanoethyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 56534830

Frequently Asked Questions

What is the IUPAC name of 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide (CID 91164144) is 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide is N#CCCN(C(=O)C1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1)C1CC1.
What is the InChIKey of 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is DPPTVWNGLFVJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O2/c33-16-6-18-36(27-12-13-27)31(37)25-9-5-17-35(22-25)26-14-19-34(20-15-26)32(38)30-28-10-3-1-7-23(28)21-24-8-2-4-11-29(24)30/h1-4,7-8,10-11,21,25-27H,5-6,9,12-15,17-20,22H2.
What are the key properties of 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide?
1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 508.67 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 91164144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).