7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride

C21H37Cl2N3O — CID 119845230

IUPAC7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccc(CNC(=O)CCCCCCN)cc1.Cl.Cl
InChIInChI=1S/C21H35N3O.2ClH/c1-18-8-5-7-15-24(18)17-20-12-10-19(11-13-20)16-23-21(25)9-4-2-3-6-14-22;;/h10-13,18H,2-9,14-17,22H2,1H3,(H,23,25);2*1H
InChIKeyYOHSPPXESVJGOB-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.43
Rot. Bonds10

About 7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride

7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride (PubChem CID 119845230) has the molecular formula C21H37Cl2N3O and a molecular weight of 418.45 g/mol. Its IUPAC name is 7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
PubChem CID119845230
Molecular FormulaC21H37Cl2N3O
Molecular Weight418.45 g/mol
Exact Mass417.23
IUPAC Name7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccc(CNC(=O)CCCCCCN)cc1.Cl.Cl
InChIInChI=1S/C21H35N3O.2ClH/c1-18-8-5-7-15-24(18)17-20-12-10-19(11-13-20)16-23-21(25)9-4-2-3-6-14-22;;/h10-13,18H,2-9,14-17,22H2,1H3,(H,23,25);2*1H
InChIKeyYOHSPPXESVJGOB-UHFFFAOYSA-N
XLogP4.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide
CID 47036113
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845060
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide
CID 55708491
N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 51948201
3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953020
3-(4-methoxyphenoxy)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 47035396
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119867300
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119845294

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride (CID 119845230) is 7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride is CC1CCCCN1Cc1ccc(CNC(=O)CCCCCCN)cc1.Cl.Cl.
What is the InChIKey of 7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride?
The InChIKey is YOHSPPXESVJGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O.2ClH/c1-18-8-5-7-15-24(18)17-20-12-10-19(11-13-20)16-23-21(25)9-4-2-3-6-14-22;;/h10-13,18H,2-9,14-17,22H2,1H3,(H,23,25);2*1H.
What are the key properties of 7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride?
7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride has a molecular weight of 418.45 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119845230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).