N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride

C18H31Cl2N3O — CID 119847432

IUPACN-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCCN(CC)Cc1cccc(CNC(=O)C2CCCCN2)c1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-3-21(4-2)14-16-9-7-8-15(12-16)13-20-18(22)17-10-5-6-11-19-17;;/h7-9,12,17,19H,3-6,10-11,13-14H2,1-2H3,(H,20,22);2*1H
InChIKeyJJKMWGBDNDSXKX-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.13
Rot. Bonds7

About N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride

N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119847432) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119847432
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC NameN-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCCN(CC)Cc1cccc(CNC(=O)C2CCCCN2)c1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-3-21(4-2)14-16-9-7-8-15(12-16)13-20-18(22)17-10-5-6-11-19-17;;/h7-9,12,17,19H,3-6,10-11,13-14H2,1-2H3,(H,20,22);2*1H
InChIKeyJJKMWGBDNDSXKX-UHFFFAOYSA-N
XLogP3.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60717846
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119287366
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119283556

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride (CID 119847432) is N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride is CCN(CC)Cc1cccc(CNC(=O)C2CCCCN2)c1.Cl.Cl.
What is the InChIKey of N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is JJKMWGBDNDSXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-3-21(4-2)14-16-9-7-8-15(12-16)13-20-18(22)17-10-5-6-11-19-17;;/h7-9,12,17,19H,3-6,10-11,13-14H2,1-2H3,(H,20,22);2*1H.
What are the key properties of N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 3.13, 7 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]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119847432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).