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

C17H25N3O2 — CID 119888681

IUPACN-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCN1Cc1ccccc1)C1CC(O)CN1
InChIInChI=1S/C17H25N3O2/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)
InChIKeyCGGGKQIOKWLZBJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.49
Rot. Bonds5

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

N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119888681) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119888681
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCN1Cc1ccccc1)C1CC(O)CN1
InChIInChI=1S/C17H25N3O2/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)
InChIKeyCGGGKQIOKWLZBJ-UHFFFAOYSA-N
XLogP0.49
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888680
N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119888642
N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide
CID 119861728
N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
CID 119861716
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 111336713
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 167927460
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119872735
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 136516685
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119888681) is N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCC1CCCN1Cc1ccccc1)C1CC(O)CN1.
What is the InChIKey of N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is CGGGKQIOKWLZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/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).
What are the key properties of N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.49, 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 is sourced from PubChem (CID 119888681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).