1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide

C16H26N4OS — CID 72885646

IUPAC1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1nnc(CCNC(=O)C2CCCN(C3CCCC3)C2)s1
InChIInChI=1S/C16H26N4OS/c1-12-18-19-15(22-12)8-9-17-16(21)13-5-4-10-20(11-13)14-6-2-3-7-14/h13-14H,2-11H2,1H3,(H,17,21)
InChIKeyYMGWCAKQTVQGKQ-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.16
Rot. Bonds5

About 1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide

1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 72885646) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID72885646
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1nnc(CCNC(=O)C2CCCN(C3CCCC3)C2)s1
InChIInChI=1S/C16H26N4OS/c1-12-18-19-15(22-12)8-9-17-16(21)13-5-4-10-20(11-13)14-6-2-3-7-14/h13-14H,2-11H2,1H3,(H,17,21)
InChIKeyYMGWCAKQTVQGKQ-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-acetyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97188621
(3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 97273284
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 118770462
(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97150664
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72890644
(3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97188368
(3S)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97198838
3-(1-methylpiperidin-2-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 72885704
(3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide
CID 124756513
1-cyclopentyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 72879168
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95476503

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide (CID 72885646) is 1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide is Cc1nnc(CCNC(=O)C2CCCN(C3CCCC3)C2)s1.
What is the InChIKey of 1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is YMGWCAKQTVQGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-12-18-19-15(22-12)8-9-17-16(21)13-5-4-10-20(11-13)14-6-2-3-7-14/h13-14H,2-11H2,1H3,(H,17,21).
What are the key properties of 1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide?
1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72885646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).