N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide

C15H24N4OS — CID 146555271

IUPACN-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCC(S)c1ccc(N2CCC(C(=O)NCCN)CC2)nc1
InChIInChI=1S/C15H24N4OS/c1-11(21)13-2-3-14(18-10-13)19-8-4-12(5-9-19)15(20)17-7-6-16/h2-3,10-12,21H,4-9,16H2,1H3,(H,17,20)
InChIKeyVWJHVIJJIFTOCN-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.36
Rot. Bonds5

About N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide

N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 146555271) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID146555271
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCC(S)c1ccc(N2CCC(C(=O)NCCN)CC2)nc1
InChIInChI=1S/C15H24N4OS/c1-11(21)13-2-3-14(18-10-13)19-8-4-12(5-9-19)15(20)17-7-6-16/h2-3,10-12,21H,4-9,16H2,1H3,(H,17,20)
InChIKeyVWJHVIJJIFTOCN-UHFFFAOYSA-N
XLogP1.36
TPSA71.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 155385774
1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
CID 47918136
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38975761
N-(2-aminoethyl)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 119479939
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
N-[[1-[5-(1-aminoethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736472
N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736481
1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
CID 51328372
2-[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 141263787
N-[(2R)-2-pyrrolidin-1-ylpropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 92612338
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 146555271) is N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide is CC(S)c1ccc(N2CCC(C(=O)NCCN)CC2)nc1.
What is the InChIKey of N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is VWJHVIJJIFTOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-11(21)13-2-3-14(18-10-13)19-8-4-12(5-9-19)15(20)17-7-6-16/h2-3,10-12,21H,4-9,16H2,1H3,(H,17,20).
What are the key properties of N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 146555271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).