1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide

C15H24ClN3OS — CID 38064329

IUPAC1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCNCc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H24ClN3OS/c16-14-4-3-13(21-14)11-18-7-1-2-8-19-9-5-12(6-10-19)15(17)20/h3-4,12,18H,1-2,5-11H2,(H2,17,20)
InChIKeyMUFSEYREUHNDAO-UHFFFAOYSA-N
MW329.90 g/mol
LogP2.47
Rot. Bonds8

About 1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide

1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide (PubChem CID 38064329) has the molecular formula C15H24ClN3OS and a molecular weight of 329.90 g/mol. Its IUPAC name is 1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
PubChem CID38064329
Molecular FormulaC15H24ClN3OS
Molecular Weight329.90 g/mol
Exact Mass329.13
IUPAC Name1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCNCc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H24ClN3OS/c16-14-4-3-13(21-14)11-18-7-1-2-8-19-9-5-12(6-10-19)15(17)20/h3-4,12,18H,1-2,5-11H2,(H2,17,20)
InChIKeyMUFSEYREUHNDAO-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.90
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-bromothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
CID 38065003
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980
1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 56815752
N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654114
4-[(5-chlorothiophen-2-yl)methylamino]butanamide
CID 60863033
1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide
CID 110767679
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
CID 62554401
methyl 4-[(5-chlorothiophen-2-yl)methylamino]butanoate
CID 60694442
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532810
3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 28680024
1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide
CID 56798033
2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one
CID 126837965

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide (CID 38064329) is 1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCCCNCc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide?
The InChIKey is MUFSEYREUHNDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3OS/c16-14-4-3-13(21-14)11-18-7-1-2-8-19-9-5-12(6-10-19)15(17)20/h3-4,12,18H,1-2,5-11H2,(H2,17,20).
What are the key properties of 1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide?
1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide has a molecular weight of 329.90 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 38064329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).