N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride

C20H35Cl2N3O — CID 119859518

IUPACN-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC(Cc1ccccc1)CN(C)C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C20H33N3O.2ClH/c1-16(18-10-7-11-21-14-18)12-20(24)22-19(15-23(2)3)13-17-8-5-4-6-9-17;;/h4-6,8-9,16,18-19,21H,7,10-15H2,1-3H3,(H,22,24);2*1H
InChIKeyJOPQGRJZDLWVAU-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.14
Rot. Bonds8

About N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119859518) has the molecular formula C20H35Cl2N3O and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119859518
Molecular FormulaC20H35Cl2N3O
Molecular Weight404.43 g/mol
Exact Mass403.22
IUPAC NameN-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC(Cc1ccccc1)CN(C)C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C20H33N3O.2ClH/c1-16(18-10-7-11-21-14-18)12-20(24)22-19(15-23(2)3)13-17-8-5-4-6-9-17;;/h4-6,8-9,16,18-19,21H,7,10-15H2,1-3H3,(H,22,24);2*1H
InChIKeyJOPQGRJZDLWVAU-UHFFFAOYSA-N
XLogP3.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
CID 119801841
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119859537
N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772626
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763
methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride
CID 119818551
N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide
CID 119740642
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119813753
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 119805764
1-(4-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671893

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119859518) is N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)NC(Cc1ccccc1)CN(C)C)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is JOPQGRJZDLWVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.2ClH/c1-16(18-10-7-11-21-14-18)12-20(24)22-19(15-23(2)3)13-17-8-5-4-6-9-17;;/h4-6,8-9,16,18-19,21H,7,10-15H2,1-3H3,(H,22,24);2*1H.
What are the key properties of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 404.43 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119859518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).