N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide

C20H34N4O2 — CID 97075772

IUPACN-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
SMILESCn1ccnc1[C@H](O)[C@H]1CCCN(CC(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C20H34N4O2/c1-23-13-11-21-20(23)19(26)16-8-7-12-24(14-16)15-18(25)22-17-9-5-3-2-4-6-10-17/h11,13,16-17,19,26H,2-10,12,14-15H2,1H3,(H,22,25)/t16-,19+/m0/s1
InChIKeyXPVRHHJCHQCMGR-QFBILLFUSA-N
MW362.52 g/mol
LogP2.39
Rot. Bonds5

About N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide

N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 97075772) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
PubChem CID97075772
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
SMILESCn1ccnc1[C@H](O)[C@H]1CCCN(CC(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C20H34N4O2/c1-23-13-11-21-20(23)19(26)16-8-7-12-24(14-16)15-18(25)22-17-9-5-3-2-4-6-10-17/h11,13,16-17,19,26H,2-10,12,14-15H2,1H3,(H,22,25)/t16-,19+/m0/s1
InChIKeyXPVRHHJCHQCMGR-QFBILLFUSA-N
XLogP2.39
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97236480
2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
CID 119925682
N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628204
(R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 124619440
2-(3-acetylpiperidin-1-yl)-N-cyclohexylacetamide
CID 55256614
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97092059
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 95133334
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773
(3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 97236489
(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075763
(1-methylimidazol-2-yl)-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133384388

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide (CID 97075772) is N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide is Cn1ccnc1[C@H](O)[C@H]1CCCN(CC(=O)NC2CCCCCCC2)C1.
What is the InChIKey of N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is XPVRHHJCHQCMGR-QFBILLFUSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-23-13-11-21-20(23)19(26)16-8-7-12-24(14-16)15-18(25)22-17-9-5-3-2-4-6-10-17/h11,13,16-17,19,26H,2-10,12,14-15H2,1H3,(H,22,25)/t16-,19+/m0/s1.
What are the key properties of N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?
N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 362.52 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 97075772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).