(4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone

C17H25N3O3 — CID 124983561

IUPAC(4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone
SMILESCOc1ccc(N2CCN[C@H](C(=O)N3CCC(O)CC3)C2)cc1
InChIInChI=1S/C17H25N3O3/c1-23-15-4-2-13(3-5-15)20-11-8-18-16(12-20)17(22)19-9-6-14(21)7-10-19/h2-5,14,16,18,21H,6-12H2,1H3/t16-/m0/s1
InChIKeyNETIVNMRPVHKNH-INIZCTEOSA-N
MW319.40 g/mol
LogP0.46
Rot. Bonds3

About (4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone

(4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone (PubChem CID 124983561) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone
PubChem CID124983561
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone
SMILESCOc1ccc(N2CCN[C@H](C(=O)N3CCC(O)CC3)C2)cc1
InChIInChI=1S/C17H25N3O3/c1-23-15-4-2-13(3-5-15)20-11-8-18-16(12-20)17(22)19-9-6-14(21)7-10-19/h2-5,14,16,18,21H,6-12H2,1H3/t16-/m0/s1
InChIKeyNETIVNMRPVHKNH-INIZCTEOSA-N
XLogP0.46
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 125018385
N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110086728
N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110086678
(2R)-N-(2-methoxyphenyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 124984923
[4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110086724
1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide
CID 124997732
azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 127007570
(2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide
CID 124977181
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119313382
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 110086699
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone (CID 124983561) is (4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone is COc1ccc(N2CCN[C@H](C(=O)N3CCC(O)CC3)C2)cc1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone?
The InChIKey is NETIVNMRPVHKNH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-23-15-4-2-13(3-5-15)20-11-8-18-16(12-20)17(22)19-9-6-14(21)7-10-19/h2-5,14,16,18,21H,6-12H2,1H3/t16-/m0/s1.
What are the key properties of (4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone?
(4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone has a molecular weight of 319.40 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone is sourced from PubChem (CID 124983561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).