N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide

C14H21ClN2OS — CID 100702776

IUPACN-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)C1CCN(Cc2sccc2Cl)CC1
InChIInChI=1S/C14H21ClN2OS/c1-10(16-11(2)18)12-3-6-17(7-4-12)9-14-13(15)5-8-19-14/h5,8,10,12H,3-4,6-7,9H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyDGBICOLUUFSUNX-JTQLQIEISA-N
MW300.85 g/mol
LogP3.14
Rot. Bonds4

About N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide

N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide (PubChem CID 100702776) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide
PubChem CID100702776
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC NameN-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)C1CCN(Cc2sccc2Cl)CC1
InChIInChI=1S/C14H21ClN2OS/c1-10(16-11(2)18)12-3-6-17(7-4-12)9-14-13(15)5-8-19-14/h5,8,10,12H,3-4,6-7,9H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyDGBICOLUUFSUNX-JTQLQIEISA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol
CID 130511552
N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride
CID 120849636
4-bromo-1-[(3-chlorothiophen-2-yl)methyl]azepane
CID 131067632
N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide
CID 146103213
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194
1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 120833625
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137372825
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoic acid
CID 103498140
N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120843136

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide (CID 100702776) is N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide is CC(=O)N[C@@H](C)C1CCN(Cc2sccc2Cl)CC1.
What is the InChIKey of N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide?
The InChIKey is DGBICOLUUFSUNX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-10(16-11(2)18)12-3-6-17(7-4-12)9-14-13(15)5-8-19-14/h5,8,10,12H,3-4,6-7,9H2,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide?
N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide has a molecular weight of 300.85 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 100702776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).