N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide

C12H19N5O2 — CID 91793008

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCN(CC(N)=O)CC2)[nH]1
InChIInChI=1S/C12H19N5O2/c1-8-6-14-11(15-8)12(19)16-9-2-4-17(5-3-9)7-10(13)18/h6,9H,2-5,7H2,1H3,(H2,13,18)(H,14,15)(H,16,19)
InChIKeyCDOHKVFUKNAAAT-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.60
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 91793008) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID91793008
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCN(CC(N)=O)CC2)[nH]1
InChIInChI=1S/C12H19N5O2/c1-8-6-14-11(15-8)12(19)16-9-2-4-17(5-3-9)7-10(13)18/h6,9H,2-5,7H2,1H3,(H2,13,18)(H,14,15)(H,16,19)
InChIKeyCDOHKVFUKNAAAT-UHFFFAOYSA-N
XLogP-0.60
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide (CID 91793008) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)NC2CCN(CC(N)=O)CC2)[nH]1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is CDOHKVFUKNAAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8-6-14-11(15-8)12(19)16-9-2-4-17(5-3-9)7-10(13)18/h6,9H,2-5,7H2,1H3,(H2,13,18)(H,14,15)(H,16,19).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91793008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).