N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

C16H25Cl2N3O — CID 119854923

IUPACN-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCN(c2ccccc2)C1)C1CCNC1
InChIInChI=1S/C16H23N3O.2ClH/c20-16(14-6-8-17-11-14)18-10-13-7-9-19(12-13)15-4-2-1-3-5-15;;/h1-5,13-14,17H,6-12H2,(H,18,20);2*1H
InChIKeyLKJNAOJFEBTGQT-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.08
Rot. Bonds4

About N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119854923) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119854923
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC NameN-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCN(c2ccccc2)C1)C1CCNC1
InChIInChI=1S/C16H23N3O.2ClH/c20-16(14-6-8-17-11-14)18-10-13-7-9-19(12-13)15-4-2-1-3-5-15;;/h1-5,13-14,17H,6-12H2,(H,18,20);2*1H
InChIKeyLKJNAOJFEBTGQT-UHFFFAOYSA-N
XLogP2.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 98672750
N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63006550
1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 55652415
1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 55701826
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
1-(4-fluorobenzoyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 46403336
2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 119854864
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[(1-phenylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46403152
(3R)-N-(azetidin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131181581

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119854923) is N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCN(c2ccccc2)C1)C1CCNC1.
What is the InChIKey of N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is LKJNAOJFEBTGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c20-16(14-6-8-17-11-14)18-10-13-7-9-19(12-13)15-4-2-1-3-5-15;;/h1-5,13-14,17H,6-12H2,(H,18,20);2*1H.
What are the key properties of N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119854923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).