N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide

C21H32N2O3 — CID 122557157

IUPACN-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide
SMILESO=C(NCCC1(O)CCCC1)N1CCC(C(O)Cc2ccccc2)CC1
InChIInChI=1S/C21H32N2O3/c24-19(16-17-6-2-1-3-7-17)18-8-14-23(15-9-18)20(25)22-13-12-21(26)10-4-5-11-21/h1-3,6-7,18-19,24,26H,4-5,8-16H2,(H,22,25)
InChIKeyVQERPEKWQWLHMD-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide

N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide (PubChem CID 122557157) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide
PubChem CID122557157
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide
SMILESO=C(NCCC1(O)CCCC1)N1CCC(C(O)Cc2ccccc2)CC1
InChIInChI=1S/C21H32N2O3/c24-19(16-17-6-2-1-3-7-17)18-8-14-23(15-9-18)20(25)22-13-12-21(26)10-4-5-11-21/h1-3,6-7,18-19,24,26H,4-5,8-16H2,(H,22,25)
InChIKeyVQERPEKWQWLHMD-UHFFFAOYSA-N
XLogP2.71
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide
CID 126428645
N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 125441834
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
2-(4-hydroxyphenyl)-1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]ethanone
CID 70710982
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 97039182
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 91833292
4-(1-hydroxyethyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438064
N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110013386
(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol
CID 28735300
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 70736964
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
(2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone
CID 96572285

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide (CID 122557157) is N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide is O=C(NCCC1(O)CCCC1)N1CCC(C(O)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is VQERPEKWQWLHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c24-19(16-17-6-2-1-3-7-17)18-8-14-23(15-9-18)20(25)22-13-12-21(26)10-4-5-11-21/h1-3,6-7,18-19,24,26H,4-5,8-16H2,(H,22,25).
What are the key properties of N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide?
N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 122557157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).