1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide

C14H22ClN3OS — CID 56813322

IUPAC1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCNCc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H22ClN3OS/c15-13-3-2-12(20-13)10-17-6-1-7-18-8-4-11(5-9-18)14(16)19/h2-3,11,17H,1,4-10H2,(H2,16,19)
InChIKeyVWDOGZJJCRRLBH-UHFFFAOYSA-N
MW315.87 g/mol
LogP2.08
Rot. Bonds7

About 1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide

1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide (PubChem CID 56813322) has the molecular formula C14H22ClN3OS and a molecular weight of 315.87 g/mol. Its IUPAC name is 1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide
PubChem CID56813322
Molecular FormulaC14H22ClN3OS
Molecular Weight315.87 g/mol
Exact Mass315.12
IUPAC Name1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCNCc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H22ClN3OS/c15-13-3-2-12(20-13)10-17-6-1-7-18-8-4-11(5-9-18)14(16)19/h2-3,11,17H,1,4-10H2,(H2,16,19)
InChIKeyVWDOGZJJCRRLBH-UHFFFAOYSA-N
XLogP2.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide (CID 56813322) is 1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCCNCc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide?
The InChIKey is VWDOGZJJCRRLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3OS/c15-13-3-2-12(20-13)10-17-6-1-7-18-8-4-11(5-9-18)14(16)19/h2-3,11,17H,1,4-10H2,(H2,16,19).
What are the key properties of 1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide?
1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide has a molecular weight of 315.87 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-chlorothiophen-2-yl)methylamino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 56813322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).