1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide

C21H26ClN3OS — CID 90621638

IUPAC1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NCC1CCCN(c2nccs2)C1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C21H26ClN3OS/c22-18-7-5-17(6-8-18)21(9-1-2-10-21)19(26)24-14-16-4-3-12-25(15-16)20-23-11-13-27-20/h5-8,11,13,16H,1-4,9-10,12,14-15H2,(H,24,26)
InChIKeyGQIFSFOCSHTEOS-UHFFFAOYSA-N
MW403.98 g/mol
LogP4.64
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 90621638) has the molecular formula C21H26ClN3OS and a molecular weight of 403.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide
PubChem CID90621638
Molecular FormulaC21H26ClN3OS
Molecular Weight403.98 g/mol
Exact Mass403.15
IUPAC Name1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NCC1CCCN(c2nccs2)C1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C21H26ClN3OS/c22-18-7-5-17(6-8-18)21(9-1-2-10-21)19(26)24-14-16-4-3-12-25(15-16)20-23-11-13-27-20/h5-8,11,13,16H,1-4,9-10,12,14-15H2,(H,24,26)
InChIKeyGQIFSFOCSHTEOS-UHFFFAOYSA-N
XLogP4.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 72884299
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 99875725
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621607
1-(4-chlorophenyl)-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 25288199
1-(4-chlorophenyl)-N-[[(3R)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97274571
2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621618
N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide
CID 99875760
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 90621705
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816
2-(6-oxopyridazin-1-yl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875789
1-(4-chlorophenyl)-N-[[(3R)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97280066

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide (CID 90621638) is 1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide is O=C(NCC1CCCN(c2nccs2)C1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is GQIFSFOCSHTEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3OS/c22-18-7-5-17(6-8-18)21(9-1-2-10-21)19(26)24-14-16-4-3-12-25(15-16)20-23-11-13-27-20/h5-8,11,13,16H,1-4,9-10,12,14-15H2,(H,24,26).
What are the key properties of 1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 403.98 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 90621638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).