N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide

C16H23ClN2OS — CID 63130637

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)C1(CC)CCCNC1
InChIInChI=1S/C16H23ClN2OS/c1-3-10-19(11-13-6-7-14(17)21-13)15(20)16(4-2)8-5-9-18-12-16/h3,6-7,18H,1,4-5,8-12H2,2H3
InChIKeyUOOHVLLOKKRZKW-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.70
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 63130637) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID63130637
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)C1(CC)CCCNC1
InChIInChI=1S/C16H23ClN2OS/c1-3-10-19(11-13-6-7-14(17)21-13)15(20)16(4-2)8-5-9-18-12-16/h3,6-7,18H,1,4-5,8-12H2,2H3
InChIKeyUOOHVLLOKKRZKW-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcycloheptane-1-carboxamide
CID 115443872
N,N-bis(prop-2-enyl)-3-propylpiperidine-3-carboxamide
CID 63132269
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide
CID 113311611
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 60646090
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylbutanamide
CID 54869480
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 60717412
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452737
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
N-[(5-chlorothiophen-2-yl)methyl]-2,2-difluoro-N-prop-2-enylacetamide
CID 103601269
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride
CID 119270779

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide (CID 63130637) is N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide is C=CCN(Cc1ccc(Cl)s1)C(=O)C1(CC)CCCNC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is UOOHVLLOKKRZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-3-10-19(11-13-6-7-14(17)21-13)15(20)16(4-2)8-5-9-18-12-16/h3,6-7,18H,1,4-5,8-12H2,2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 326.89 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 63130637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).