[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone

C22H29N3O2 — CID 99699860

IUPAC[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
SMILESCn1ccnc1[C@@H](O)C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1
InChIInChI=1S/C22H29N3O2/c1-24-16-13-23-20(24)19(26)17-9-14-25(15-10-17)21(27)22(11-5-6-12-22)18-7-3-2-4-8-18/h2-4,7-8,13,16-17,19,26H,5-6,9-12,14-15H2,1H3/t19-/m0/s1
InChIKeyLPKAFRMBXJUNSP-IBGZPJMESA-N
MW367.49 g/mol
LogP3.20
Rot. Bonds4

About [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone

[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone (PubChem CID 99699860) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
PubChem CID99699860
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
SMILESCn1ccnc1[C@@H](O)C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1
InChIInChI=1S/C22H29N3O2/c1-24-16-13-23-20(24)19(26)17-9-14-25(15-10-17)21(27)22(11-5-6-12-22)18-7-3-2-4-8-18/h2-4,7-8,13,16-17,19,26H,5-6,9-12,14-15H2,1H3/t19-/m0/s1
InChIKeyLPKAFRMBXJUNSP-IBGZPJMESA-N
XLogP3.20
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one
CID 124616877
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890
3-(1,3-dihydroisoindol-2-yl)-1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 91795299
3-benzylsulfanyl-1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 135106649
(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 121496323
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone
CID 96576461
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
(1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110103059
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 97443799
1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124750923
(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol
CID 133395796

Frequently Asked Questions

What is the IUPAC name of [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone?
The IUPAC name of [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone (CID 99699860) is [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone.
What is the SMILES notation for [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone?
The canonical SMILES for [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone is Cn1ccnc1[C@@H](O)C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1.
What is the InChIKey of [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone?
The InChIKey is LPKAFRMBXJUNSP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24-16-13-23-20(24)19(26)17-9-14-25(15-10-17)21(27)22(11-5-6-12-22)18-7-3-2-4-8-18/h2-4,7-8,13,16-17,19,26H,5-6,9-12,14-15H2,1H3/t19-/m0/s1.
What are the key properties of [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone?
[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone has a molecular weight of 367.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone is sourced from PubChem (CID 99699860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).