N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide

C22H30N4O2 — CID 110159147

IUPACN-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
SMILESCN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O
InChIInChI=1S/C22H30N4O2/c1-24(19-9-10-20(21(19)27)26-14-11-23-16-26)22(28)18-7-5-17(6-8-18)15-25-12-3-2-4-13-25/h5-8,11,14,16,19-21,27H,2-4,9-10,12-13,15H2,1H3/t19-,20-,21-/m1/s1
InChIKeyOTPFKINUGKQYQW-NJDAHSKKSA-N
MW382.51 g/mol
LogP2.71
Rot. Bonds5

About N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide

N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 110159147) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
PubChem CID110159147
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
SMILESCN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O
InChIInChI=1S/C22H30N4O2/c1-24(19-9-10-20(21(19)27)26-14-11-23-16-26)22(28)18-7-5-17(6-8-18)15-25-12-3-2-4-13-25/h5-8,11,14,16,19-21,27H,2-4,9-10,12-13,15H2,1H3/t19-,20-,21-/m1/s1
InChIKeyOTPFKINUGKQYQW-NJDAHSKKSA-N
XLogP2.71
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
2,6-di(imidazol-1-yl)cyclohexan-1-ol
CID 91619575
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110154639
formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 154911735
N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 123142315
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide
CID 110127432
2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide
CID 110127757
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 56789513
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide
CID 110127780
N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97201362

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide (CID 110159147) is N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide is CN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is OTPFKINUGKQYQW-NJDAHSKKSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-24(19-9-10-20(21(19)27)26-14-11-23-16-26)22(28)18-7-5-17(6-8-18)15-25-12-3-2-4-13-25/h5-8,11,14,16,19-21,27H,2-4,9-10,12-13,15H2,1H3/t19-,20-,21-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 382.51 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 110159147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).