4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide

C19H25N5O2 — CID 173142589

IUPAC4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NC(=O)CCc2cn(Cc3ccccc3)cn2)CC1
InChIInChI=1S/C19H25N5O2/c20-19(26)24-10-8-16(9-11-24)22-18(25)7-6-17-13-23(14-21-17)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H2,20,26)(H,22,25)
InChIKeyCFMVXHCJUNMRKZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.52
Rot. Bonds6

About 4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide

4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide (PubChem CID 173142589) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide
PubChem CID173142589
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NC(=O)CCc2cn(Cc3ccccc3)cn2)CC1
InChIInChI=1S/C19H25N5O2/c20-19(26)24-10-8-16(9-11-24)22-18(25)7-6-17-13-23(14-21-17)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H2,20,26)(H,22,25)
InChIKeyCFMVXHCJUNMRKZ-UHFFFAOYSA-N
XLogP1.52
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide
CID 69137777
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide
CID 106717486
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 56813373

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide (CID 173142589) is 4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide is NC(=O)N1CCC(NC(=O)CCc2cn(Cc3ccccc3)cn2)CC1.
What is the InChIKey of 4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide?
The InChIKey is CFMVXHCJUNMRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-19(26)24-10-8-16(9-11-24)22-18(25)7-6-17-13-23(14-21-17)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H2,20,26)(H,22,25).
What are the key properties of 4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide?
4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzylimidazol-4-yl)propanoylamino]piperidine-1-carboxamide is sourced from PubChem (CID 173142589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).