3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride

C21H35Cl2N3O — CID 119900427

IUPAC3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride
SMILESCC(NC(=O)CC(C)C1CCNCC1)c1cccc(N2CCCC2)c1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-16(18-8-10-22-11-9-18)14-21(25)23-17(2)19-6-5-7-20(15-19)24-12-3-4-13-24;;/h5-7,15-18,22H,3-4,8-14H2,1-2H3,(H,23,25);2*1H
InChIKeySTCLAICDZRZFIA-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.33
Rot. Bonds6

About 3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride

3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride (PubChem CID 119900427) has the molecular formula C21H35Cl2N3O and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride
PubChem CID119900427
Molecular FormulaC21H35Cl2N3O
Molecular Weight416.44 g/mol
Exact Mass415.22
IUPAC Name3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride
SMILESCC(NC(=O)CC(C)C1CCNCC1)c1cccc(N2CCCC2)c1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-16(18-8-10-22-11-9-18)14-21(25)23-17(2)19-6-5-7-20(15-19)24-12-3-4-13-24;;/h5-7,15-18,22H,3-4,8-14H2,1-2H3,(H,23,25);2*1H
InChIKeySTCLAICDZRZFIA-UHFFFAOYSA-N
XLogP4.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 119788718
(2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119900377
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884239
1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119900435
5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900380
N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 71972333
N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119750157

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride (CID 119900427) is 3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride is CC(NC(=O)CC(C)C1CCNCC1)c1cccc(N2CCCC2)c1.Cl.Cl.
What is the InChIKey of 3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride?
The InChIKey is STCLAICDZRZFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.2ClH/c1-16(18-8-10-22-11-9-18)14-21(25)23-17(2)19-6-5-7-20(15-19)24-12-3-4-13-24;;/h5-7,15-18,22H,3-4,8-14H2,1-2H3,(H,23,25);2*1H.
What are the key properties of 3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride?
3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride has a molecular weight of 416.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119900427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).