N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

C20H32ClN3O2 — CID 119732846

IUPACN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCN(Cc1ccccc1NC(=O)CC(C)C1CCCNC1)C(C)=O.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-4-23(16(3)24)14-18-8-5-6-10-19(18)22-20(25)12-15(2)17-9-7-11-21-13-17;/h5-6,8,10,15,17,21H,4,7,9,11-14H2,1-3H3,(H,22,25);1H
InChIKeyUIAVXHIXTPCZBG-UHFFFAOYSA-N
MW381.95 g/mol
LogP3.44
Rot. Bonds7

About N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119732846) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119732846
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCN(Cc1ccccc1NC(=O)CC(C)C1CCCNC1)C(C)=O.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-4-23(16(3)24)14-18-8-5-6-10-19(18)22-20(25)12-15(2)17-9-7-11-21-13-17;/h5-6,8,10,15,17,21H,4,7,9,11-14H2,1-3H3,(H,22,25);1H
InChIKeyUIAVXHIXTPCZBG-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828880
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
CID 81048657
N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119850277
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119814476
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119732846) is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is CCN(Cc1ccccc1NC(=O)CC(C)C1CCCNC1)C(C)=O.Cl.
What is the InChIKey of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is UIAVXHIXTPCZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-4-23(16(3)24)14-18-8-5-6-10-19(18)22-20(25)12-15(2)17-9-7-11-21-13-17;/h5-6,8,10,15,17,21H,4,7,9,11-14H2,1-3H3,(H,22,25);1H.
What are the key properties of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119732846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).