N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide

C18H21ClN4O2S — CID 56702414

IUPACN-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)c2csnn2)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN4O2S/c19-15-3-1-2-14(10-15)11-20-17(24)5-4-13-6-8-23(9-7-13)18(25)16-12-26-22-21-16/h1-3,10,12-13H,4-9,11H2,(H,20,24)
InChIKeyCAAWVOBTUOSFGR-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.14
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide

N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 56702414) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID56702414
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)c2csnn2)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN4O2S/c19-15-3-1-2-14(10-15)11-20-17(24)5-4-13-6-8-23(9-7-13)18(25)16-12-26-22-21-16/h1-3,10,12-13H,4-9,11H2,(H,20,24)
InChIKeyCAAWVOBTUOSFGR-UHFFFAOYSA-N
XLogP3.14
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 42159544
methyl 4-[4-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 26325736
N-[(3-chlorophenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]propanamide
CID 42507954
N-[(3-chlorophenyl)methyl]-3-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]propanamide
CID 25283323
3-[1-[(1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]piperidin-4-yl]-N-[(3-chlorophenyl)methyl]propanamide
CID 42114617
N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide
CID 72855594
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 23587399
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
3-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56858466
[4-[2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 143151043
N-(3-chlorophenyl)-5-[4-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330891
1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 108898738

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide (CID 56702414) is N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide is O=C(CCC1CCN(C(=O)c2csnn2)CC1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is CAAWVOBTUOSFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c19-15-3-1-2-14(10-15)11-20-17(24)5-4-13-6-8-23(9-7-13)18(25)16-12-26-22-21-16/h1-3,10,12-13H,4-9,11H2,(H,20,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide?
N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 392.91 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 56702414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).