N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

C17H27Cl2N3O2 — CID 119888680

IUPACN-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1Cc1ccccc1)C1CC(O)CN1
InChIInChI=1S/C17H25N3O2.2ClH/c21-15-9-16(18-11-15)17(22)19-10-14-7-4-8-20(14)12-13-5-2-1-3-6-13;;/h1-3,5-6,14-16,18,21H,4,7-12H2,(H,19,22);2*1H
InChIKeyGGUUBJKBJZHGIN-UHFFFAOYSA-N
MW376.33 g/mol
LogP1.33
Rot. Bonds5

About N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119888680) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119888680
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC NameN-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1Cc1ccccc1)C1CC(O)CN1
InChIInChI=1S/C17H25N3O2.2ClH/c21-15-9-16(18-11-15)17(22)19-10-14-7-4-8-20(14)12-13-5-2-1-3-6-13;;/h1-3,5-6,14-16,18,21H,4,7-12H2,(H,19,22);2*1H
InChIKeyGGUUBJKBJZHGIN-UHFFFAOYSA-N
XLogP1.33
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119888681
N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119888642
N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide
CID 119861728
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
CID 119861716
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119872735
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 111336713
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 167927460
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658
(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 136516685

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (CID 119888680) is N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCCN1Cc1ccccc1)C1CC(O)CN1.
What is the InChIKey of N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is GGUUBJKBJZHGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.2ClH/c21-15-9-16(18-11-15)17(22)19-10-14-7-4-8-20(14)12-13-5-2-1-3-6-13;;/h1-3,5-6,14-16,18,21H,4,7-12H2,(H,19,22);2*1H.
What are the key properties of N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119888680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).