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

C21H37Cl2N3O — CID 119845060

IUPAC7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
SMILESCC1CCN(Cc2ccc(CNC(=O)CCCCCCN)cc2)CC1.Cl.Cl
InChIInChI=1S/C21H35N3O.2ClH/c1-18-11-14-24(15-12-18)17-20-9-7-19(8-10-20)16-23-21(25)6-4-2-3-5-13-22;;/h7-10,18H,2-6,11-17,22H2,1H3,(H,23,25);2*1H
InChIKeyHQBDEZPVSPSEGN-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.29
Rot. Bonds10

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

7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride (PubChem CID 119845060) has the molecular formula C21H37Cl2N3O and a molecular weight of 418.45 g/mol. Its IUPAC name is 7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
PubChem CID119845060
Molecular FormulaC21H37Cl2N3O
Molecular Weight418.45 g/mol
Exact Mass417.23
IUPAC Name7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
SMILESCC1CCN(Cc2ccc(CNC(=O)CCCCCCN)cc2)CC1.Cl.Cl
InChIInChI=1S/C21H35N3O.2ClH/c1-18-11-14-24(15-12-18)17-20-9-7-19(8-10-20)16-23-21(25)6-4-2-3-5-13-22;;/h7-10,18H,2-6,11-17,22H2,1H3,(H,23,25);2*1H
InChIKeyHQBDEZPVSPSEGN-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
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

7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845230
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 38046570
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119867300
4-chloro-N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]benzamide
CID 38400279
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845098
4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
2-(4-methylpiperidin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8558402
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55650881
3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120502841
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide
CID 119899075

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride (CID 119845060) is 7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride is CC1CCN(Cc2ccc(CNC(=O)CCCCCCN)cc2)CC1.Cl.Cl.
What is the InChIKey of 7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride?
The InChIKey is HQBDEZPVSPSEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O.2ClH/c1-18-11-14-24(15-12-18)17-20-9-7-19(8-10-20)16-23-21(25)6-4-2-3-5-13-22;;/h7-10,18H,2-6,11-17,22H2,1H3,(H,23,25);2*1H.
What are the key properties of 7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride?
7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride has a molecular weight of 418.45 g/mol, XLogP of 4.29, 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-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119845060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).