N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide

C18H30N4O — CID 125161016

IUPACN-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)NCC[C@@H]1CCCCN1C1CCCC1
InChIInChI=1S/C18H30N4O/c1-14-17(21(2)13-20-14)18(23)19-11-10-16-9-5-6-12-22(16)15-7-3-4-8-15/h13,15-16H,3-12H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyRBNWQNKXRRLTCI-INIZCTEOSA-N
MW318.46 g/mol
LogP2.65
Rot. Bonds5

About N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide

N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide (PubChem CID 125161016) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide
PubChem CID125161016
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)NCC[C@@H]1CCCCN1C1CCCC1
InChIInChI=1S/C18H30N4O/c1-14-17(21(2)13-20-14)18(23)19-11-10-16-9-5-6-12-22(16)15-7-3-4-8-15/h13,15-16H,3-12H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyRBNWQNKXRRLTCI-INIZCTEOSA-N
XLogP2.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide
CID 125177821
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3,5-dimethylimidazole-4-carboxamide
CID 125446440
4-[2-(1-cyclopentylpiperidin-2-yl)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 118786993
N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid
CID 154909119
3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazo[4,5-b]pyridine-7-carboxamide
CID 155952965
5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine
CID 131924906
3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide
CID 125448591
N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-15-methyl-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide
CID 155993823
N-[(1-cyclohexylpiperidin-2-yl)methyl]acetamide
CID 70842242
2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97436873
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
6-(ethylamino)-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 25374156

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide (CID 125161016) is N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide is Cc1ncn(C)c1C(=O)NCC[C@@H]1CCCCN1C1CCCC1.
What is the InChIKey of N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide?
The InChIKey is RBNWQNKXRRLTCI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14-17(21(2)13-20-14)18(23)19-11-10-16-9-5-6-12-22(16)15-7-3-4-8-15/h13,15-16H,3-12H2,1-2H3,(H,19,23)/t16-/m0/s1.
What are the key properties of N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide?
N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 125161016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).