N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride

C18H29Cl2N3O — CID 119847231

IUPACN-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1cccc(CN2CCCC2)c1)C1CCCNC1
InChIInChI=1S/C18H27N3O.2ClH/c22-18(17-7-4-8-19-13-17)20-12-15-5-3-6-16(11-15)14-21-9-1-2-10-21;;/h3,5-6,11,17,19H,1-2,4,7-10,12-14H2,(H,20,22);2*1H
InChIKeyGLCPYDUEMOHOMV-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.74
Rot. Bonds5

About N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride

N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119847231) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119847231
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC NameN-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1cccc(CN2CCCC2)c1)C1CCCNC1
InChIInChI=1S/C18H27N3O.2ClH/c22-18(17-7-4-8-19-13-17)20-12-15-5-3-6-16(11-15)14-21-9-1-2-10-21;;/h3,5-6,11,17,19H,1-2,4,7-10,12-14H2,(H,20,22);2*1H
InChIKeyGLCPYDUEMOHOMV-UHFFFAOYSA-N
XLogP2.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119867361
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 119312856
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119864301
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
3-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119867333
N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
CID 91518240
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119295626
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride (CID 119847231) is N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1cccc(CN2CCCC2)c1)C1CCCNC1.
What is the InChIKey of N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is GLCPYDUEMOHOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c22-18(17-7-4-8-19-13-17)20-12-15-5-3-6-16(11-15)14-21-9-1-2-10-21;;/h3,5-6,11,17,19H,1-2,4,7-10,12-14H2,(H,20,22);2*1H.
What are the key properties of N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119847231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).