N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C21H37Cl2N3O — CID 119847444

IUPACN-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCCN(CC)Cc1cccc(CNC(=O)CC(C)C2CCCNC2)c1.Cl.Cl
InChIInChI=1S/C21H35N3O.2ClH/c1-4-24(5-2)16-19-9-6-8-18(13-19)14-23-21(25)12-17(3)20-10-7-11-22-15-20;;/h6,8-9,13,17,20,22H,4-5,7,10-12,14-16H2,1-3H3,(H,23,25);2*1H
InChIKeyMHCNJTHVBRNGMF-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.01
Rot. Bonds9

About N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119847444) has the molecular formula C21H37Cl2N3O and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119847444
Molecular FormulaC21H37Cl2N3O
Molecular Weight418.45 g/mol
Exact Mass417.23
IUPAC NameN-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCCN(CC)Cc1cccc(CNC(=O)CC(C)C2CCCNC2)c1.Cl.Cl
InChIInChI=1S/C21H35N3O.2ClH/c1-4-24(5-2)16-19-9-6-8-18(13-19)14-23-21(25)12-17(3)20-10-7-11-22-15-20;;/h6,8-9,13,17,20,22H,4-5,7,10-12,14-16H2,1-3H3,(H,23,25);2*1H
InChIKeyMHCNJTHVBRNGMF-UHFFFAOYSA-N
XLogP4.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
CID 119719799
3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731383
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119803049
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847367
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119886350
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714575
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
ethyl 4-[(3-piperidin-3-ylbutanoylamino)methyl]benzoate;hydrochloride
CID 119746508
N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828131
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119847444) is N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CCN(CC)Cc1cccc(CNC(=O)CC(C)C2CCCNC2)c1.Cl.Cl.
What is the InChIKey of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is MHCNJTHVBRNGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O.2ClH/c1-4-24(5-2)16-19-9-6-8-18(13-19)14-23-21(25)12-17(3)20-10-7-11-22-15-20;;/h6,8-9,13,17,20,22H,4-5,7,10-12,14-16H2,1-3H3,(H,23,25);2*1H.
What are the key properties of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 418.45 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119847444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).