N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride

C21H35Cl2N3O2 — CID 119884221

IUPACN-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCOc1cccc(N2CCCC(NC(=O)CC(C)C3CCCNC3)C2)c1.Cl.Cl
InChIInChI=1S/C21H33N3O2.2ClH/c1-16(17-6-4-10-22-14-17)12-21(25)23-18-7-5-11-24(15-18)19-8-3-9-20(13-19)26-2;;/h3,8-9,13,16-18,22H,4-7,10-12,14-15H2,1-2H3,(H,23,25);2*1H
InChIKeyOFAFWSAVCMDDND-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.65
Rot. Bonds6

About N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119884221) has the molecular formula C21H35Cl2N3O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119884221
Molecular FormulaC21H35Cl2N3O2
Molecular Weight432.44 g/mol
Exact Mass431.21
IUPAC NameN-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCOc1cccc(N2CCCC(NC(=O)CC(C)C3CCCNC3)C2)c1.Cl.Cl
InChIInChI=1S/C21H33N3O2.2ClH/c1-16(17-6-4-10-22-14-17)12-21(25)23-18-7-5-11-24(15-18)19-8-3-9-20(13-19)26-2;;/h3,8-9,13,16-18,22H,4-7,10-12,14-15H2,1-2H3,(H,23,25);2*1H
InChIKeyOFAFWSAVCMDDND-UHFFFAOYSA-N
XLogP3.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884239
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119427977
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119898742
(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 124861385
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703515
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride
CID 119884229
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636997

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119884221) is N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride is COc1cccc(N2CCCC(NC(=O)CC(C)C3CCCNC3)C2)c1.Cl.Cl.
What is the InChIKey of N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is OFAFWSAVCMDDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.2ClH/c1-16(17-6-4-10-22-14-17)12-21(25)23-18-7-5-11-24(15-18)19-8-3-9-20(13-19)26-2;;/h3,8-9,13,16-18,22H,4-7,10-12,14-15H2,1-2H3,(H,23,25);2*1H.
What are the key properties of N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 432.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119884221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).