N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide

C12H20N4O — CID 54965407

IUPACN-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)n1ccnc1
InChIInChI=1S/C12H20N4O/c1-11(9-15-6-3-2-4-7-15)14-12(17)16-8-5-13-10-16/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,14,17)
InChIKeyZMAASPLTVMVEKO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.32
Rot. Bonds3

About N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide

N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide (PubChem CID 54965407) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide
PubChem CID54965407
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)n1ccnc1
InChIInChI=1S/C12H20N4O/c1-11(9-15-6-3-2-4-7-15)14-12(17)16-8-5-13-10-16/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,14,17)
InChIKeyZMAASPLTVMVEKO-UHFFFAOYSA-N
XLogP1.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]imidazole-1-carboxamide
CID 39871202
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide
CID 81256957
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide
CID 81258075
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide
CID 126980828
2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 43695360
4-methyl-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583839
3-hydroxy-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 78892643
N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide
CID 61473845

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide?
The IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide (CID 54965407) is N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide is CC(CN1CCCCC1)NC(=O)n1ccnc1.
What is the InChIKey of N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide?
The InChIKey is ZMAASPLTVMVEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-11(9-15-6-3-2-4-7-15)14-12(17)16-8-5-13-10-16/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,14,17).
What are the key properties of N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide?
N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide is sourced from PubChem (CID 54965407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).