N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide

C13H22N4O2 — CID 125161884

IUPACN-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NCCN1CCC[C@@H](CO)C1
InChIInChI=1S/C13H22N4O2/c1-16-7-4-14-12(16)13(19)15-5-8-17-6-2-3-11(9-17)10-18/h4,7,11,18H,2-3,5-6,8-10H2,1H3,(H,15,19)/t11-/m1/s1
InChIKeySCRDDPUOXRKXGL-LLVKDONJSA-N
MW266.34 g/mol
LogP-0.15
Rot. Bonds5

About N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide

N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide (PubChem CID 125161884) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide
PubChem CID125161884
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NCCN1CCC[C@@H](CO)C1
InChIInChI=1S/C13H22N4O2/c1-16-7-4-14-12(16)13(19)15-5-8-17-6-2-3-11(9-17)10-18/h4,7,11,18H,2-3,5-6,8-10H2,1H3,(H,15,19)/t11-/m1/s1
InChIKeySCRDDPUOXRKXGL-LLVKDONJSA-N
XLogP-0.15
TPSA70.39 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 ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125155025
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 74241302
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 118791684
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
CID 124754325
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide
CID 56754635
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-benzothiophene-5-carboxamide
CID 70709796
[1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol
CID 131893362
3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 131945605
1-(cyclohexylmethyl)-3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 164638769

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide (CID 125161884) is N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)NCCN1CCC[C@@H](CO)C1.
What is the InChIKey of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide?
The InChIKey is SCRDDPUOXRKXGL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16-7-4-14-12(16)13(19)15-5-8-17-6-2-3-11(9-17)10-18/h4,7,11,18H,2-3,5-6,8-10H2,1H3,(H,15,19)/t11-/m1/s1.
What are the key properties of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide?
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 125161884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).