N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

C16H24ClN3OS — CID 120843136

IUPACN-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCN(Cc2sccc2Cl)C1)C1CCCN1
InChIInChI=1S/C16H24ClN3OS/c17-13-5-8-22-15(13)11-20-7-2-3-12(10-20)9-19-16(21)14-4-1-6-18-14/h5,8,12,14,18H,1-4,6-7,9-11H2,(H,19,21)
InChIKeyFWGTYJPLFUFZKE-UHFFFAOYSA-N
MW341.91 g/mol
LogP2.48
Rot. Bonds5

About N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 120843136) has the molecular formula C16H24ClN3OS and a molecular weight of 341.91 g/mol. Its IUPAC name is N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID120843136
Molecular FormulaC16H24ClN3OS
Molecular Weight341.91 g/mol
Exact Mass341.13
IUPAC NameN-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCN(Cc2sccc2Cl)C1)C1CCCN1
InChIInChI=1S/C16H24ClN3OS/c17-13-5-8-22-15(13)11-20-7-2-3-12(10-20)9-19-16(21)14-4-1-6-18-14/h5,8,12,14,18H,1-4,6-7,9-11H2,(H,19,21)
InChIKeyFWGTYJPLFUFZKE-UHFFFAOYSA-N
XLogP2.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843208
N-[[1-[(3-chloro-4-nitrophenyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120843107
(2R)-N-[[(3R)-1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 98887072
N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120843128
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide
CID 119865355
N-[[1-(4-methylsulfanylbutyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 103089534
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 120846234
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119879602
N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843147
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846233
(2S)-N-[[(3R)-1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649493

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 120843136) is N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is O=C(NCC1CCCN(Cc2sccc2Cl)C1)C1CCCN1.
What is the InChIKey of N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is FWGTYJPLFUFZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3OS/c17-13-5-8-22-15(13)11-20-7-2-3-12(10-20)9-19-16(21)14-4-1-6-18-14/h5,8,12,14,18H,1-4,6-7,9-11H2,(H,19,21).
What are the key properties of N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 341.91 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120843136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).