N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C22H39Cl2N3O — CID 119849977

IUPACN-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)CC(C)C1CCNCC1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C22H37N3O.2ClH/c1-4-25(5-2)21(16-19-9-7-6-8-10-19)17-24-22(26)15-18(3)20-11-13-23-14-12-20;;/h6-10,18,20-21,23H,4-5,11-17H2,1-3H3,(H,24,26);2*1H
InChIKeyXDDSAEHINOVPNE-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.93
Rot. Bonds10

About N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119849977) has the molecular formula C22H39Cl2N3O and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119849977
Molecular FormulaC22H39Cl2N3O
Molecular Weight432.48 g/mol
Exact Mass431.25
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)CC(C)C1CCNCC1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C22H37N3O.2ClH/c1-4-25(5-2)21(16-19-9-7-6-8-10-19)17-24-22(26)15-18(3)20-11-13-23-14-12-20;;/h6-10,18,20-21,23H,4-5,11-17H2,1-3H3,(H,24,26);2*1H
InChIKeyXDDSAEHINOVPNE-UHFFFAOYSA-N
XLogP3.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
CID 119850601
N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772626
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119719399
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119780835
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride
CID 119849955
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120642373
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691430

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119849977) is N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CCN(CC)C(CNC(=O)CC(C)C1CCNCC1)Cc1ccccc1.Cl.Cl.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is XDDSAEHINOVPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O.2ClH/c1-4-25(5-2)21(16-19-9-7-6-8-10-19)17-24-22(26)15-18(3)20-11-13-23-14-12-20;;/h6-10,18,20-21,23H,4-5,11-17H2,1-3H3,(H,24,26);2*1H.
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 432.48 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119849977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).