N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride

C18H29Cl2N3O — CID 119844976

IUPACN-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccc(NC(=O)C2CCNC2)cc1.Cl.Cl
InChIInChI=1S/C18H27N3O.2ClH/c1-14-4-2-3-11-21(14)13-15-5-7-17(8-6-15)20-18(22)16-9-10-19-12-16;;/h5-8,14,16,19H,2-4,9-13H2,1H3,(H,20,22);2*1H
InChIKeySDFZNEYZWJSUMW-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.45
Rot. Bonds4

About N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119844976) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119844976
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC NameN-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccc(NC(=O)C2CCNC2)cc1.Cl.Cl
InChIInChI=1S/C18H27N3O.2ClH/c1-14-4-2-3-11-21(14)13-15-5-7-17(8-6-15)20-18(22)16-9-10-19-12-16;;/h5-8,14,16,19H,2-4,9-13H2,1H3,(H,20,22);2*1H
InChIKeySDFZNEYZWJSUMW-UHFFFAOYSA-N
XLogP3.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119845294
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119844969
(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 98784893
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 119844945
2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946474
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 119844949
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119844976) is N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride is CC1CCCCN1Cc1ccc(NC(=O)C2CCNC2)cc1.Cl.Cl.
What is the InChIKey of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is SDFZNEYZWJSUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c1-14-4-2-3-11-21(14)13-15-5-7-17(8-6-15)20-18(22)16-9-10-19-12-16;;/h5-8,14,16,19H,2-4,9-13H2,1H3,(H,20,22);2*1H.
What are the key properties of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119844976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).