N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride

C19H39Cl3N4O — CID 119903703

IUPACN-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride
SMILESCN1CCC(N2CCC(CCN(C)C(=O)C3CCCN3)CC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C19H36N4O.3ClH/c1-21-11-8-17(9-12-21)23-14-6-16(7-15-23)5-13-22(2)19(24)18-4-3-10-20-18;;;/h16-18,20H,3-15H2,1-2H3;3*1H
InChIKeyVLUHBPGTFATMLI-UHFFFAOYSA-N
MW445.91 g/mol
LogP2.66
Rot. Bonds5

About N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride

N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride (PubChem CID 119903703) has the molecular formula C19H39Cl3N4O and a molecular weight of 445.91 g/mol. Its IUPAC name is N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride
PubChem CID119903703
Molecular FormulaC19H39Cl3N4O
Molecular Weight445.91 g/mol
Exact Mass444.22
IUPAC NameN-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride
SMILESCN1CCC(N2CCC(CCN(C)C(=O)C3CCCN3)CC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C19H36N4O.3ClH/c1-21-11-8-17(9-12-21)23-14-6-16(7-15-23)5-13-22(2)19(24)18-4-3-10-20-18;;;/h16-18,20H,3-15H2,1-2H3;3*1H
InChIKeyVLUHBPGTFATMLI-UHFFFAOYSA-N
XLogP2.66
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 55174038
(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 119894086
N-methyl-N-[2-(oxan-4-yl)ethyl]piperidine-2-carboxamide
CID 115159827
N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894059
(2R)-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 89362128
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 95031613
(2S)-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 68805915
2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid
CID 119149324
(2R)-N-methyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 103885144
N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide
CID 112698005
N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-2-carboxamide
CID 115178047

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride?
The IUPAC name of N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride (CID 119903703) is N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride.
What is the SMILES notation for N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride?
The canonical SMILES for N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride is CN1CCC(N2CCC(CCN(C)C(=O)C3CCCN3)CC2)CC1.Cl.Cl.Cl.
What is the InChIKey of N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride?
The InChIKey is VLUHBPGTFATMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O.3ClH/c1-21-11-8-17(9-12-21)23-14-6-16(7-15-23)5-13-22(2)19(24)18-4-3-10-20-18;;;/h16-18,20H,3-15H2,1-2H3;3*1H.
What are the key properties of N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride?
N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride has a molecular weight of 445.91 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride is sourced from PubChem (CID 119903703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).