N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

C18H31N3OS — CID 2186966

IUPACN-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(Cc2sccc2C)CC1
InChIInChI=1S/C18H31N3OS/c1-4-20(5-2)12-9-19-18(22)16-6-10-21(11-7-16)14-17-15(3)8-13-23-17/h8,13,16H,4-7,9-12,14H2,1-3H3,(H,19,22)
InChIKeyUUKJZLSSISTWPJ-UHFFFAOYSA-N
MW337.53 g/mol
LogP2.73
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 2186966) has the molecular formula C18H31N3OS and a molecular weight of 337.53 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID2186966
Molecular FormulaC18H31N3OS
Molecular Weight337.53 g/mol
Exact Mass337.22
IUPAC NameN-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(Cc2sccc2C)CC1
InChIInChI=1S/C18H31N3OS/c1-4-20(5-2)12-9-19-18(22)16-6-10-21(11-7-16)14-17-15(3)8-13-23-17/h8,13,16H,4-7,9-12,14H2,1-3H3,(H,19,22)
InChIKeyUUKJZLSSISTWPJ-UHFFFAOYSA-N
XLogP2.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (CID 2186966) is N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is CCN(CC)CCNC(=O)C1CCN(Cc2sccc2C)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is UUKJZLSSISTWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3OS/c1-4-20(5-2)12-9-19-18(22)16-6-10-21(11-7-16)14-17-15(3)8-13-23-17/h8,13,16H,4-7,9-12,14H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 337.53 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 2186966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).