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

C17H21ClN4OS — CID 30864314

IUPACN-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCCc1nnc(C2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C17H21ClN4OS/c1-2-15-20-21-16(24-15)13-7-9-22(10-8-13)17(23)19-11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,19,23)
InChIKeyYUBLHNBERHHCOU-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.84
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 30864314) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID30864314
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCCc1nnc(C2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C17H21ClN4OS/c1-2-15-20-21-16(24-15)13-7-9-22(10-8-13)17(23)19-11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,19,23)
InChIKeyYUBLHNBERHHCOU-UHFFFAOYSA-N
XLogP3.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 30864314) is N-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is CCc1nnc(C2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is YUBLHNBERHHCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OS/c1-2-15-20-21-16(24-15)13-7-9-22(10-8-13)17(23)19-11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,19,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 364.90 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 30864314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).