4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide

C15H22ClN3O2S — CID 51085085

IUPAC4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide
SMILESCC(=O)NCC1CCN(C(=O)NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H22ClN3O2S/c1-11(20)18-10-12-5-8-19(9-6-12)15(21)17-7-4-13-2-3-14(16)22-13/h2-3,12H,4-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyDBOQCGCKNKKQRF-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.50
Rot. Bonds5

About 4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide

4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 51085085) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide
PubChem CID51085085
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide
SMILESCC(=O)NCC1CCN(C(=O)NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H22ClN3O2S/c1-11(20)18-10-12-5-8-19(9-6-12)15(21)17-7-4-13-2-3-14(16)22-13/h2-3,12H,4-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyDBOQCGCKNKKQRF-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(5-Chlorothiophen-2-yl)ethyl]-1-[1-(morpholin-4-yl)propan-2-yl]urea
CID 53499989
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dioxo-1lambda6-thiomorpholine-4-carboxamide
CID 71933396
4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide
CID 51084665
4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide
CID 51084817
3-[3-(Azepan-1-yl)-3-oxopropyl]-1-[(5-chlorothiophen-2-yl)methyl]-1-methylurea
CID 51129449
1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 52910545
4-acetyl-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 53501429
4-acetyl-N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-carboxamide
CID 53503958
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanopiperidine-1-carboxamide
CID 118741510
N-(methylcarbamoyl)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 172434974
4-[2-[(5-Chlorothiophen-2-yl)methyl-ethylamino]acetyl]piperazin-2-one
CID 31686628
1-N-[(5-ethylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 45829793

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide (CID 51085085) is 4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide is CC(=O)NCC1CCN(C(=O)NCCc2ccc(Cl)s2)CC1.
What is the InChIKey of 4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is DBOQCGCKNKKQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2S/c1-11(20)18-10-12-5-8-19(9-6-12)15(21)17-7-4-13-2-3-14(16)22-13/h2-3,12H,4-10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide?
4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 343.88 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 51085085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).