N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C18H28N4OS — CID 95969206

IUPACN-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCCS[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C18H28N4OS/c1-2-24-17-4-3-16(13-17)20-18(23)22-11-9-21(10-12-22)14-15-5-7-19-8-6-15/h5-8,16-17H,2-4,9-14H2,1H3,(H,20,23)/t16-,17+/m0/s1
InChIKeyAIKXIUKJTNEGOW-DLBZAZTESA-N
MW348.52 g/mol
LogP2.58
Rot. Bonds5

About N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 95969206) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID95969206
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC NameN-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCCS[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C18H28N4OS/c1-2-24-17-4-3-16(13-17)20-18(23)22-11-9-21(10-12-22)14-15-5-7-19-8-6-15/h5-8,16-17H,2-4,9-14H2,1H3,(H,20,23)/t16-,17+/m0/s1
InChIKeyAIKXIUKJTNEGOW-DLBZAZTESA-N
XLogP2.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-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

Related Compounds

4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide
CID 95969263
4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide
CID 48957087
N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
CID 75472607
N-(2-tert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108670
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
N-(3,5-ditert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 171093259
N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 72900440
N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 17149179
1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 60953087
1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide
CID 146136552
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carboxamide
CID 122569694
(2-hydroxycyclopentyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 110013764

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 95969206) is N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is CCS[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3ccncc3)CC2)C1.
What is the InChIKey of N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is AIKXIUKJTNEGOW-DLBZAZTESA-N. The full InChI is InChI=1S/C18H28N4OS/c1-2-24-17-4-3-16(13-17)20-18(23)22-11-9-21(10-12-22)14-15-5-7-19-8-6-15/h5-8,16-17H,2-4,9-14H2,1H3,(H,20,23)/t16-,17+/m0/s1.
What are the key properties of N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 348.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 95969206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).