N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide

C17H19ClN2O3S — CID 35706852

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H19ClN2O3S/c1-19(10-14-2-3-15(18)24-14)16(21)12-4-7-20(8-5-12)17(22)13-6-9-23-11-13/h2-3,6,9,11-12H,4-5,7-8,10H2,1H3
InChIKeyCAWOOFZJEDZDQJ-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.51
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 35706852) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID35706852
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H19ClN2O3S/c1-19(10-14-2-3-15(18)24-14)16(21)12-4-7-20(8-5-12)17(22)13-6-9-23-11-13/h2-3,6,9,11-12H,4-5,7-8,10H2,1H3
InChIKeyCAWOOFZJEDZDQJ-UHFFFAOYSA-N
XLogP3.51
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
1-(furan-3-carbonyl)-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134059017
N-cycloheptyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 134048834
N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 55720074
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 56512423
1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 86828642
N-cyclopropyl-1-(furan-3-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35734927
cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
CID 97033065
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78885489

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide (CID 35706852) is N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide is CN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is CAWOOFZJEDZDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-19(10-14-2-3-15(18)24-14)16(21)12-4-7-20(8-5-12)17(22)13-6-9-23-11-13/h2-3,6,9,11-12H,4-5,7-8,10H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 35706852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).