N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine

C22H38N4S — CID 45238050

IUPACN-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESc1csc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)n1
InChIInChI=1S/C22H38N4S/c1-4-11-24(12-5-1)14-15-25(19-22-23-10-16-27-22)17-20-7-6-13-26(18-20)21-8-2-3-9-21/h10,16,20-21H,1-9,11-15,17-19H2
InChIKeyKPUDEEASWJLVHD-UHFFFAOYSA-N
MW390.64 g/mol
LogP4.09
Rot. Bonds8

About N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine

N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 45238050) has the molecular formula C22H38N4S and a molecular weight of 390.64 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID45238050
Molecular FormulaC22H38N4S
Molecular Weight390.64 g/mol
Exact Mass390.28
IUPAC NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESc1csc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)n1
InChIInChI=1S/C22H38N4S/c1-4-11-24(12-5-1)14-15-25(19-22-23-10-16-27-22)17-20-7-6-13-26(18-20)21-8-2-3-9-21/h10,16,20-21H,1-9,11-15,17-19H2
InChIKeyKPUDEEASWJLVHD-UHFFFAOYSA-N
XLogP4.09
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.64
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine with MolForge

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Related Compounds

2-[[9-(Cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370618
2-[[1-(Cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97372578
2-(2-azabicyclo[2.2.1]hept-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 133544181
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120857651
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 91830927
N-(3-methylbutyl)-N-[(1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 57640336
2-[(4-Methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 58990395
2-[[(3S)-3-propan-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 89667340
2-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 89669432
2-(Piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
CID 91365250
4-[4-[3-[Bis(2-methylpropyl)amino]propyl]piperazin-1-yl]-1-(1,3-thiazol-2-yl)butan-1-amine
CID 118104867
2-(1-Cyclopentylpiperidin-4-yl)-1,3-thiazole
CID 127720340

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 45238050) is N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine is c1csc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)n1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is KPUDEEASWJLVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4S/c1-4-11-24(12-5-1)14-15-25(19-22-23-10-16-27-22)17-20-7-6-13-26(18-20)21-8-2-3-9-21/h10,16,20-21H,1-9,11-15,17-19H2.
What are the key properties of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 390.64 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 45238050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).