N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride

C20H33ClN2O2 — CID 119693479

IUPACN-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)CC(C)C2CCCNC2)C(C)C)cc1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-14(2)20(16-7-9-18(24-4)10-8-16)22-19(23)12-15(3)17-6-5-11-21-13-17;/h7-10,14-15,17,20-21H,5-6,11-13H2,1-4H3,(H,22,23);1H
InChIKeyWCORMDGYDNPXNK-UHFFFAOYSA-N
MW368.95 g/mol
LogP3.96
Rot. Bonds7

About N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119693479) has the molecular formula C20H33ClN2O2 and a molecular weight of 368.95 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119693479
Molecular FormulaC20H33ClN2O2
Molecular Weight368.95 g/mol
Exact Mass368.22
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)CC(C)C2CCCNC2)C(C)C)cc1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-14(2)20(16-7-9-18(24-4)10-8-16)22-19(23)12-15(3)17-6-5-11-21-13-17;/h7-10,14-15,17,20-21H,5-6,11-13H2,1-4H3,(H,22,23);1H
InChIKeyWCORMDGYDNPXNK-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119693492
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride
CID 119818551
N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 119273380
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide
CID 119829702
2-(4-methoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119473969
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119694049
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119721204
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119693479) is N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride is COc1ccc(C(NC(=O)CC(C)C2CCCNC2)C(C)C)cc1.Cl.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is WCORMDGYDNPXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.ClH/c1-14(2)20(16-7-9-18(24-4)10-8-16)22-19(23)12-15(3)17-6-5-11-21-13-17;/h7-10,14-15,17,20-21H,5-6,11-13H2,1-4H3,(H,22,23);1H.
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119693479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).