N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C19H27N3OS2 — CID 87013934

IUPACN-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C19H27N3OS2/c1-2-3-4-9-20-18(23)15-7-10-22(11-8-15)13-16-14-25-19(21-16)17-6-5-12-24-17/h5-6,12,14-15H,2-4,7-11,13H2,1H3,(H,20,23)
InChIKeyUFQQGDPTMUZBJW-UHFFFAOYSA-N
MW377.58 g/mol
LogP4.39
Rot. Bonds8

About N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 87013934) has the molecular formula C19H27N3OS2 and a molecular weight of 377.58 g/mol. Its IUPAC name is N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID87013934
Molecular FormulaC19H27N3OS2
Molecular Weight377.58 g/mol
Exact Mass377.16
IUPAC NameN-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C19H27N3OS2/c1-2-3-4-9-20-18(23)15-7-10-22(11-8-15)13-16-14-25-19(21-16)17-6-5-12-24-17/h5-6,12,14-15H,2-4,7-11,13H2,1H3,(H,20,23)
InChIKeyUFQQGDPTMUZBJW-UHFFFAOYSA-N
XLogP4.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 55852662
1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 111113942
1-methylsulfonyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973415
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
4-[(4-ethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 171686496
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989
N-[3-(4-chlorophenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928846
1-(2-phenoxyacetyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390059
1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974853
1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973351
1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390060

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 87013934) is N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is CCCCCNC(=O)C1CCN(Cc2csc(-c3cccs3)n2)CC1.
What is the InChIKey of N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is UFQQGDPTMUZBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS2/c1-2-3-4-9-20-18(23)15-7-10-22(11-8-15)13-16-14-25-19(21-16)17-6-5-12-24-17/h5-6,12,14-15H,2-4,7-11,13H2,1H3,(H,20,23).
What are the key properties of N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 377.58 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 87013934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).