N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride

C18H29ClN2O2 — CID 120555490

IUPACN-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCCOCCc1ccccc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-15-14-19-11-9-17(15)20-18(21)8-5-12-22-13-10-16-6-3-2-4-7-16;/h2-4,6-7,15,17,19H,5,8-14H2,1H3,(H,20,21);1H
InChIKeyCXHOLHSZXYBJNV-UHFFFAOYSA-N
MW340.89 g/mol
LogP2.56
Rot. Bonds8

About N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride

N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride (PubChem CID 120555490) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
PubChem CID120555490
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC NameN-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCCOCCc1ccccc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-15-14-19-11-9-17(15)20-18(21)8-5-12-22-13-10-16-6-3-2-4-7-16;/h2-4,6-7,15,17,19H,5,8-14H2,1H3,(H,20,21);1H
InChIKeyCXHOLHSZXYBJNV-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide
CID 120554516
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride
CID 120556581
4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120555351
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554616
N-(3-methylpiperidin-4-yl)-3-naphthalen-2-ylpropanamide;hydrochloride
CID 120554205
4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120554975
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957
3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120556122

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride (CID 120555490) is N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride is CC1CNCCC1NC(=O)CCCOCCc1ccccc1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride?
The InChIKey is CXHOLHSZXYBJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-15-14-19-11-9-17(15)20-18(21)8-5-12-22-13-10-16-6-3-2-4-7-16;/h2-4,6-7,15,17,19H,5,8-14H2,1H3,(H,20,21);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride is sourced from PubChem (CID 120555490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).