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

C19H31Cl2N3O — CID 119845294

IUPACN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccc(CNC(=O)C2CCNC2)cc1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-15-4-2-3-11-22(15)14-17-7-5-16(6-8-17)12-21-19(23)18-9-10-20-13-18;;/h5-8,15,18,20H,2-4,9-14H2,1H3,(H,21,23);2*1H
InChIKeyPANQNAWFJCBERP-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.13
Rot. Bonds5

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

N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119845294) has the molecular formula C19H31Cl2N3O and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119845294
Molecular FormulaC19H31Cl2N3O
Molecular Weight388.38 g/mol
Exact Mass387.18
IUPAC NameN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccc(CNC(=O)C2CCNC2)cc1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-15-4-2-3-11-22(15)14-17-7-5-16(6-8-17)12-21-19(23)18-9-10-20-13-18;;/h5-8,15,18,20H,2-4,9-14H2,1H3,(H,21,23);2*1H
InChIKeyPANQNAWFJCBERP-UHFFFAOYSA-N
XLogP3.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844976
(2R,3S)-2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 120938878
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46476068
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119838492
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845230
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119844969
1-(4-chlorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 55708364
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119806005

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119845294) is N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride is CC1CCCCN1Cc1ccc(CNC(=O)C2CCNC2)cc1.Cl.Cl.
What is the InChIKey of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is PANQNAWFJCBERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.2ClH/c1-15-4-2-3-11-22(15)14-17-7-5-16(6-8-17)12-21-19(23)18-9-10-20-13-18;;/h5-8,15,18,20H,2-4,9-14H2,1H3,(H,21,23);2*1H.
What are the key properties of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 388.38 g/mol, XLogP of 3.13, 5 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]methyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119845294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).