N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide

C13H22N4O2 — CID 119856882

IUPACN-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)Cn2ccnc2)CCNCC1
InChIInChI=1S/C13H22N4O2/c1-11(9-17-8-7-15-10-17)16-12(18)13(19-2)3-5-14-6-4-13/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,16,18)
InChIKeyKBZUDYDHMMWABD-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.16
Rot. Bonds5

About N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide (PubChem CID 119856882) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide
PubChem CID119856882
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)Cn2ccnc2)CCNCC1
InChIInChI=1S/C13H22N4O2/c1-11(9-17-8-7-15-10-17)16-12(18)13(19-2)3-5-14-6-4-13/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,16,18)
InChIKeyKBZUDYDHMMWABD-UHFFFAOYSA-N
XLogP0.16
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide (CID 119856882) is N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NC(C)Cn2ccnc2)CCNCC1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide?
The InChIKey is KBZUDYDHMMWABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-11(9-17-8-7-15-10-17)16-12(18)13(19-2)3-5-14-6-4-13/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,16,18).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119856882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).