N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C19H26N4OS — CID 126466861

IUPACN-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CC12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C19H26N4OS/c24-18(21-5-1-7-23-10-6-20-15-23)17-12-19(17)3-8-22(9-4-19)13-16-2-11-25-14-16/h2,6,10-11,14-15,17H,1,3-5,7-9,12-13H2,(H,21,24)
InChIKeyHWTGLBLQNQFMTA-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.75
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126466861) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126466861
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CC12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C19H26N4OS/c24-18(21-5-1-7-23-10-6-20-15-23)17-12-19(17)3-8-22(9-4-19)13-16-2-11-25-14-16/h2,6,10-11,14-15,17H,1,3-5,7-9,12-13H2,(H,21,24)
InChIKeyHWTGLBLQNQFMTA-UHFFFAOYSA-N
XLogP2.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53501483
N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 71894036
(4S)-N-ethyl-4-[(1H-imidazol-1-ylacetyl)amino]-1-(3-thienylmethyl)-L-prolinamide
CID 72895326
N-{[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methyl}-2-(3-thienyl)acetamide
CID 122564478
N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 97471224
N-(2-imidazol-1-ylethyl)-6-[(5-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126465900
N-(3-imidazol-1-ylpropyl)-6-[(3-methylthiophen-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126467531
3-[4-[[2-(1-Methylimidazol-2-yl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide
CID 68776974
N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)sulfanyl-N-(thiophen-3-ylmethyl)acetamide
CID 68776976
N-(3-imidazol-1-ylpropyl)-3-thiophen-3-ylpropanamide
CID 17446956
N-(3-imidazol-1-ylpropyl)-N-(thiophen-3-ylmethyl)tetradecanamide
CID 42704228
N3-(3-(1H-imidazol-1-yl)propyl)-N1-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 49728447

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126466861) is N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCCn1ccnc1)C1CC12CCN(Cc1ccsc1)CC2.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is HWTGLBLQNQFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c24-18(21-5-1-7-23-10-6-20-15-23)17-12-19(17)3-8-22(9-4-19)13-16-2-11-25-14-16/h2,6,10-11,14-15,17H,1,3-5,7-9,12-13H2,(H,21,24).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126466861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).