(2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide

C15H26N4O — CID 96549328

IUPAC(2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide
SMILESCCCN1CCCC[C@H]1C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H26N4O/c1-2-9-19-11-4-3-6-14(19)15(20)17-7-5-10-18-12-8-16-13-18/h8,12-14H,2-7,9-11H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyCATMOQWUUWEMTL-AWEZNQCLSA-N
MW278.40 g/mol
LogP1.65
Rot. Bonds7

About (2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide

(2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide (PubChem CID 96549328) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide
PubChem CID96549328
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide
SMILESCCCN1CCCC[C@H]1C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H26N4O/c1-2-9-19-11-4-3-6-14(19)15(20)17-7-5-10-18-12-8-16-13-18/h8,12-14H,2-7,9-11H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyCATMOQWUUWEMTL-AWEZNQCLSA-N
XLogP1.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
1-(2-Ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 4876352
N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclohexyloxalamide
CID 3122124
2-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl)acetamide
CID 36795531
N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
(2R)-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-imidazol-1-ylpropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]amino]-5-guanidino-pentanamide
CID 484275
cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
N-cyclohexyl-2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]acetamide
CID 44054736
N-heptyl-2-imidazol-1-yl-acetamide
CID 44139805
N-butyl-2-imidazol-1-yl-acetamide
CID 44139807

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide (CID 96549328) is (2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide is CCCN1CCCC[C@H]1C(=O)NCCCn1ccnc1.
What is the InChIKey of (2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide?
The InChIKey is CATMOQWUUWEMTL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-9-19-11-4-3-6-14(19)15(20)17-7-5-10-18-12-8-16-13-18/h8,12-14H,2-7,9-11H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide?
(2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide is sourced from PubChem (CID 96549328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).