(4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone

C28H37N3O2S — CID 42693568

IUPAC(4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone
SMILESO=C(c1cccs1)N1CCC(N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C28H37N3O2S/c32-27(30-14-8-23(9-15-30)21-22-5-2-1-3-6-22)24-10-16-29(17-11-24)25-12-18-31(19-13-25)28(33)26-7-4-20-34-26/h1-7,20,23-25H,8-19,21H2
InChIKeyQTVOZZKVJJHUEJ-UHFFFAOYSA-N
MW479.69 g/mol
LogP4.55
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone

(4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone (PubChem CID 42693568) has the molecular formula C28H37N3O2S and a molecular weight of 479.69 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone
PubChem CID42693568
Molecular FormulaC28H37N3O2S
Molecular Weight479.69 g/mol
Exact Mass479.26
IUPAC Name(4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone
SMILESO=C(c1cccs1)N1CCC(N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C28H37N3O2S/c32-27(30-14-8-23(9-15-30)21-22-5-2-1-3-6-22)24-10-16-29(17-11-24)25-12-18-31(19-13-25)28(33)26-7-4-20-34-26/h1-7,20,23-25H,8-19,21H2
InChIKeyQTVOZZKVJJHUEJ-UHFFFAOYSA-N
XLogP4.55
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.69
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone 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

(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
(6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one
CID 137337165
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
2-(4-benzylpiperidin-1-ium-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8543374
4-[[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95873674
4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 42693679
N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693237
2-methyl-2-phenyl-1-[4-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 39998005
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone (CID 42693568) is (4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone is O=C(c1cccs1)N1CCC(N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone?
The InChIKey is QTVOZZKVJJHUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2S/c32-27(30-14-8-23(9-15-30)21-22-5-2-1-3-6-22)24-10-16-29(17-11-24)25-12-18-31(19-13-25)28(33)26-7-4-20-34-26/h1-7,20,23-25H,8-19,21H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone?
(4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone has a molecular weight of 479.69 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 42693568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).