3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride

C20H32Cl3N3O — CID 119879575

IUPAC3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H30ClN3O.2ClH/c21-19-7-2-1-4-17(19)14-24-10-8-15(9-11-24)13-23-20(25)16-5-3-6-18(22)12-16;;/h1-2,4,7,15-16,18H,3,5-6,8-14,22H2,(H,23,25);2*1H
InChIKeySPPMCWKZFJLCJO-UHFFFAOYSA-N
MW436.86 g/mol
LogP4.03
Rot. Bonds5

About 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119879575) has the molecular formula C20H32Cl3N3O and a molecular weight of 436.86 g/mol. Its IUPAC name is 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119879575
Molecular FormulaC20H32Cl3N3O
Molecular Weight436.86 g/mol
Exact Mass435.16
IUPAC Name3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H30ClN3O.2ClH/c21-19-7-2-1-4-17(19)14-24-10-8-15(9-11-24)13-23-20(25)16-5-3-6-18(22)12-16;;/h1-2,4,7,15-16,18H,3,5-6,8-14,22H2,(H,23,25);2*1H
InChIKeySPPMCWKZFJLCJO-UHFFFAOYSA-N
XLogP4.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 119879576
trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 124699225
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 119879572
2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119879595
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119879602
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508
3-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide;trihydrochloride
CID 119900981
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride
CID 119879593
4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide
CID 120565429
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53031048
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119854746
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 136524248

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119879575) is 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1.
What is the InChIKey of 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is SPPMCWKZFJLCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O.2ClH/c21-19-7-2-1-4-17(19)14-24-10-8-15(9-11-24)13-23-20(25)16-5-3-6-18(22)12-16;;/h1-2,4,7,15-16,18H,3,5-6,8-14,22H2,(H,23,25);2*1H.
What are the key properties of 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 436.86 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119879575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).