N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide

C24H39N3OS — CID 24819019

IUPACN-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)s1
InChIInChI=1S/C24H39N3OS/c1-20-11-12-23(29-20)24(28)27(17-16-25-13-5-2-6-14-25)19-21-8-7-15-26(18-21)22-9-3-4-10-22/h11-12,21-22H,2-10,13-19H2,1H3
InChIKeyGTQXIOWLGLBUQL-UHFFFAOYSA-N
MW417.66 g/mol
LogP4.64
Rot. Bonds7

About N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide

N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 24819019) has the molecular formula C24H39N3OS and a molecular weight of 417.66 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID24819019
Molecular FormulaC24H39N3OS
Molecular Weight417.66 g/mol
Exact Mass417.28
IUPAC NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)s1
InChIInChI=1S/C24H39N3OS/c1-20-11-12-23(29-20)24(28)27(17-16-25-13-5-2-6-14-25)19-21-8-7-15-26(18-21)22-9-3-4-10-22/h11-12,21-22H,2-10,13-19H2,1H3
InChIKeyGTQXIOWLGLBUQL-UHFFFAOYSA-N
XLogP4.64
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.66
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide with MolForge

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Related Compounds

4-Piperidyl-1-(2-thienylcarbonyl)piperidine-4-carboxamide
CID 687901
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylthiophen-3-yl)-methanone
CID 11624178
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylthiophen-2-yl)-methanone
CID 11631394
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-2-yl)-methanone
CID 11695753
[4-(1-Benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 1131749
1-(4-{[4-(Pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]methyl}-2-thienyl)ethanone
CID 16187722
N-[(1-cyclopentyl-3-piperidinyl)methyl]-N-[2-(1-piperidinyl)ethyl]-2-thiophenecarboxamide
CID 24817642
N-benzyl-N-methyl-1-[(5-methyl-2-thienyl)carbonyl]-3-piperidinamine
CID 24819399
[5-(4-Pyrrolidin-1-ylpiperidine-1-carbonyl)thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 73333127
[4-(4-Ethyl-5-methyl-thiophene-2-carbonyl)piperazin-1-yl]-phenyl-methanone
CID 7809250
[4-(Propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
CID 764856

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide (CID 24819019) is N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide is Cc1ccc(C(=O)N(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)s1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is GTQXIOWLGLBUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3OS/c1-20-11-12-23(29-20)24(28)27(17-16-25-13-5-2-6-14-25)19-21-8-7-15-26(18-21)22-9-3-4-10-22/h11-12,21-22H,2-10,13-19H2,1H3.
What are the key properties of N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 417.66 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 24819019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).