N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride

C17H35Cl3N4O — CID 119903563

IUPACN-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride
SMILESCN1CCC(CNC(=O)C2CCNC2)(N2CCCCC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H32N4O.3ClH/c1-20-11-6-17(7-12-20,21-9-3-2-4-10-21)14-19-16(22)15-5-8-18-13-15;;;/h15,18H,2-14H2,1H3,(H,19,22);3*1H
InChIKeyCBDKMTXQPLGOAE-UHFFFAOYSA-N
MW417.85 g/mol
LogP1.93
Rot. Bonds4

About N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride

N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride (PubChem CID 119903563) has the molecular formula C17H35Cl3N4O and a molecular weight of 417.85 g/mol. Its IUPAC name is N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride
PubChem CID119903563
Molecular FormulaC17H35Cl3N4O
Molecular Weight417.85 g/mol
Exact Mass416.19
IUPAC NameN-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride
SMILESCN1CCC(CNC(=O)C2CCNC2)(N2CCCCC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H32N4O.3ClH/c1-20-11-6-17(7-12-20,21-9-3-2-4-10-21)14-19-16(22)15-5-8-18-13-15;;;/h15,18H,2-14H2,1H3,(H,19,22);3*1H
InChIKeyCBDKMTXQPLGOAE-UHFFFAOYSA-N
XLogP1.93
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 63006010
N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 119886746
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119887107
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119887041
N-[(1,4-dimethylpiperidin-4-yl)methyl]piperidine-3-carboxamide
CID 107163930
(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 131134696
N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119782174
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride
CID 119903533
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride?
The IUPAC name of N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride (CID 119903563) is N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride.
What is the SMILES notation for N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride?
The canonical SMILES for N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride is CN1CCC(CNC(=O)C2CCNC2)(N2CCCCC2)CC1.Cl.Cl.Cl.
What is the InChIKey of N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride?
The InChIKey is CBDKMTXQPLGOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O.3ClH/c1-20-11-6-17(7-12-20,21-9-3-2-4-10-21)14-19-16(22)15-5-8-18-13-15;;;/h15,18H,2-14H2,1H3,(H,19,22);3*1H.
What are the key properties of N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride?
N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride has a molecular weight of 417.85 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride is sourced from PubChem (CID 119903563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).