N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride

C18H29ClN2O2 — CID 119770174

IUPACN-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCOCc1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-15(17-7-9-19-10-8-17)13-18(21)20-11-12-22-14-16-5-3-2-4-6-16;/h2-6,15,17,19H,7-14H2,1H3,(H,20,21);1H
InChIKeyYTMSLGJRLYYRGJ-UHFFFAOYSA-N
MW340.89 g/mol
LogP2.77
Rot. Bonds8

About N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119770174) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119770174
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC NameN-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCOCc1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-15(17-7-9-19-10-8-17)13-18(21)20-11-12-22-14-16-5-3-2-4-6-16;/h2-6,15,17,19H,7-14H2,1H3,(H,20,21);1H
InChIKeyYTMSLGJRLYYRGJ-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691430
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119738762
N-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99624808

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119770174) is N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCCOCc1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is YTMSLGJRLYYRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-15(17-7-9-19-10-8-17)13-18(21)20-11-12-22-14-16-5-3-2-4-6-16;/h2-6,15,17,19H,7-14H2,1H3,(H,20,21);1H.
What are the key properties of N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119770174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).