1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide

C19H30N2O2 — CID 139907384

IUPAC1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCCCOCc2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c20-19(22)18-10-13-21(14-11-18)12-6-1-2-7-15-23-16-17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2,(H2,20,22)
InChIKeyJPZRYOJKHVWNBX-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.96
Rot. Bonds10

About 1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide

1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide (PubChem CID 139907384) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide
PubChem CID139907384
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCCCOCc2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c20-19(22)18-10-13-21(14-11-18)12-6-1-2-7-15-23-16-17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2,(H2,20,22)
InChIKeyJPZRYOJKHVWNBX-UHFFFAOYSA-N
XLogP2.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide
CID 3055325
1-(6-methoxyhexyl)piperidine-4-carboxamide
CID 139907421
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide
CID 24728036
1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide
CID 20544942
1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine
CID 141012569
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23724163
(3S,4R)-3-benzyl-3-(hydroxymethyl)-1-(4-phenylmethoxybutyl)piperidin-4-ol
CID 155497301
1-octadecylpiperidine-4-carboxamide
CID 4134920
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide (CID 139907384) is 1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide is NC(=O)C1CCN(CCCCCCOCc2ccccc2)CC1.
What is the InChIKey of 1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide?
The InChIKey is JPZRYOJKHVWNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c20-19(22)18-10-13-21(14-11-18)12-6-1-2-7-15-23-16-17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2,(H2,20,22).
What are the key properties of 1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide?
1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide is sourced from PubChem (CID 139907384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).