N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C16H26N4OS — CID 51113316

IUPACN-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NCCCC1CCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H26N4OS/c21-15(17-7-3-6-14-4-1-2-5-14)19-9-11-20(12-10-19)16-18-8-13-22-16/h8,13-14H,1-7,9-12H2,(H,17,21)
InChIKeyJSNRNCVXGOEICL-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.95
Rot. Bonds5

About N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 51113316) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID51113316
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NCCCC1CCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H26N4OS/c21-15(17-7-3-6-14-4-1-2-5-14)19-9-11-20(12-10-19)16-18-8-13-22-16/h8,13-14H,1-7,9-12H2,(H,17,21)
InChIKeyJSNRNCVXGOEICL-UHFFFAOYSA-N
XLogP2.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 1448188
3-(2-oxoimidazolidin-1-yl)-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 47079402
1-[1-(Cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 56781501
1-[1-(Cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea
CID 71935959
N-(cyclohexylmethyl)-3-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 72138618
1-Cyclopentyl-3-(1-(thiazol-2-yl)piperidin-4-yl)urea
CID 71810060
N-[(2S)-2-ethylhexyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 40494451
1-tert-butyl-3-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]urea
CID 99874683
N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 138042313
1-(1,3-Thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]urea
CID 136512592
N-(2-methylcyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 42931500
4-N-[2-(diethylamino)ethyl]-1-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 51124475

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 51113316) is N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(NCCCC1CCCC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is JSNRNCVXGOEICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c21-15(17-7-3-6-14-4-1-2-5-14)19-9-11-20(12-10-19)16-18-8-13-22-16/h8,13-14H,1-7,9-12H2,(H,17,21).
What are the key properties of N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 51113316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).