4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid

C17H21N5O3 — CID 74234117

IUPAC4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(NCC(c1cccnc1)N1CCCCC1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C17H21N5O3/c23-16(14-15(17(24)25)21-11-20-14)19-10-13(12-5-4-6-18-9-12)22-7-2-1-3-8-22/h4-6,9,11,13H,1-3,7-8,10H2,(H,19,23)(H,20,21)(H,24,25)
InChIKeyWMPMLTMANHYVTE-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.46
Rot. Bonds6

About 4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid

4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 74234117) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID74234117
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(NCC(c1cccnc1)N1CCCCC1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C17H21N5O3/c23-16(14-15(17(24)25)21-11-20-14)19-10-13(12-5-4-6-18-9-12)22-7-2-1-3-8-22/h4-6,9,11,13H,1-3,7-8,10H2,(H,19,23)(H,20,21)(H,24,25)
InChIKeyWMPMLTMANHYVTE-UHFFFAOYSA-N
XLogP1.46
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid with MolForge

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Related Compounds

5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
CID 131907416
N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 95714741
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
5-methoxy-2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 146042975
5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45206058
1-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 162626540
2-ethyl-4-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 74246411
6-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74236670
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482

Frequently Asked Questions

What is the IUPAC name of 4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid (CID 74234117) is 4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid is O=C(NCC(c1cccnc1)N1CCCCC1)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is WMPMLTMANHYVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-16(14-15(17(24)25)21-11-20-14)19-10-13(12-5-4-6-18-9-12)22-7-2-1-3-8-22/h4-6,9,11,13H,1-3,7-8,10H2,(H,19,23)(H,20,21)(H,24,25).
What are the key properties of 4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 343.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 74234117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).