N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

C19H31ClN2O3 — CID 119714575

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCOc1ccc(CNC(=O)CC(C)C2CCCNC2)cc1OC.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-4-24-17-8-7-15(11-18(17)23-3)12-21-19(22)10-14(2)16-6-5-9-20-13-16;/h7-8,11,14,16,20H,4-6,9-10,12-13H2,1-3H3,(H,21,22);1H
InChIKeyXZFRUXKEQZZKQU-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.16
Rot. Bonds8

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119714575) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119714575
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCOc1ccc(CNC(=O)CC(C)C2CCCNC2)cc1OC.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-4-24-17-8-7-15(11-18(17)23-3)12-21-19(22)10-14(2)16-6-5-9-20-13-16;/h7-8,11,14,16,20H,4-6,9-10,12-13H2,1-3H3,(H,21,22);1H
InChIKeyXZFRUXKEQZZKQU-UHFFFAOYSA-N
XLogP3.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
ethyl 4-[(3-piperidin-3-ylbutanoylamino)methyl]benzoate;hydrochloride
CID 119746508
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119847444
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119886350
2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119474033
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847615

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119714575) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is CCOc1ccc(CNC(=O)CC(C)C2CCCNC2)cc1OC.Cl.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is XZFRUXKEQZZKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-4-24-17-8-7-15(11-18(17)23-3)12-21-19(22)10-14(2)16-6-5-9-20-13-16;/h7-8,11,14,16,20H,4-6,9-10,12-13H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119714575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).