N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H33ClN2O2 — CID 119739883

IUPACN-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(C)COc1ccccc1CNC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-15(2)14-24-19-7-5-4-6-18(19)13-22-20(23)12-16(3)17-8-10-21-11-9-17;/h4-7,15-17,21H,8-14H2,1-3H3,(H,22,23);1H
InChIKeyYZBKVBCAROMKJB-UHFFFAOYSA-N
MW368.95 g/mol
LogP3.79
Rot. Bonds8

About N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119739883) has the molecular formula C20H33ClN2O2 and a molecular weight of 368.95 g/mol. Its IUPAC name is N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119739883
Molecular FormulaC20H33ClN2O2
Molecular Weight368.95 g/mol
Exact Mass368.22
IUPAC NameN-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(C)COc1ccccc1CNC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-15(2)14-24-19-7-5-4-6-18(19)13-22-20(23)12-16(3)17-8-10-21-11-9-17;/h4-7,15-17,21H,8-14H2,1-3H3,(H,22,23);1H
InChIKeyYZBKVBCAROMKJB-UHFFFAOYSA-N
XLogP3.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119751165
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119784711
N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119738762
3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride
CID 119755229
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119869671
N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide
CID 119810004
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119814484
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119739883) is N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(C)COc1ccccc1CNC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is YZBKVBCAROMKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.ClH/c1-15(2)14-24-19-7-5-4-6-18(19)13-22-20(23)12-16(3)17-8-10-21-11-9-17;/h4-7,15-17,21H,8-14H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119739883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).