4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide

C22H35N3O2 — CID 121499174

IUPAC4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCN1CCC(CNC(=O)N2CCC(C(O)CCc3ccccc3)CC2)CC1
InChIInChI=1S/C22H35N3O2/c1-24-13-9-19(10-14-24)17-23-22(27)25-15-11-20(12-16-25)21(26)8-7-18-5-3-2-4-6-18/h2-6,19-21,26H,7-17H2,1H3,(H,23,27)
InChIKeyQLHLAVHRDOSEKX-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.74
Rot. Bonds6

About 4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide

4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 121499174) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
PubChem CID121499174
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCN1CCC(CNC(=O)N2CCC(C(O)CCc3ccccc3)CC2)CC1
InChIInChI=1S/C22H35N3O2/c1-24-13-9-19(10-14-24)17-23-22(27)25-15-11-20(12-16-25)21(26)8-7-18-5-3-2-4-6-18/h2-6,19-21,26H,7-17H2,1H3,(H,23,27)
InChIKeyQLHLAVHRDOSEKX-UHFFFAOYSA-N
XLogP2.74
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxy-3-phenylpropyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 119058706
4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 126423568
N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 125441834
N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 126424800
N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483
[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 131901997
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(2-phenylethyl)piperidine-1-carboxamide
CID 126449856
N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 136524004
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
(2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide
CID 95614948
3-cyclobutyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid;1-(1-methylpiperidin-4-yl)-3-phenylpropan-1-ol
CID 142021357

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide (CID 121499174) is 4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide is CN1CCC(CNC(=O)N2CCC(C(O)CCc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is QLHLAVHRDOSEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-24-13-9-19(10-14-24)17-23-22(27)25-15-11-20(12-16-25)21(26)8-7-18-5-3-2-4-6-18/h2-6,19-21,26H,7-17H2,1H3,(H,23,27).
What are the key properties of 4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 121499174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).