N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide

C15H20N2O3 — CID 62370951

IUPACN-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N1CCC(CO)C1
InChIInChI=1S/C15H20N2O3/c1-11(15(20)17-8-7-12(9-17)10-18)16-14(19)13-5-3-2-4-6-13/h2-6,11-12,18H,7-10H2,1H3,(H,16,19)
InChIKeyVRTOOMLAWAMFEG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.65
Rot. Bonds4

About N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide

N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 62370951) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID62370951
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N1CCC(CO)C1
InChIInChI=1S/C15H20N2O3/c1-11(15(20)17-8-7-12(9-17)10-18)16-14(19)13-5-3-2-4-6-13/h2-6,11-12,18H,7-10H2,1H3,(H,16,19)
InChIKeyVRTOOMLAWAMFEG-UHFFFAOYSA-N
XLogP0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66291291
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55590117
N-[1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66260521
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119410430
4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
CID 171152885
ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
CID 2667430
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 62372521
2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid
CID 129467141
N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 115775311
N-[1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 80702651

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide (CID 62370951) is N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)N1CCC(CO)C1.
What is the InChIKey of N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is VRTOOMLAWAMFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(15(20)17-8-7-12(9-17)10-18)16-14(19)13-5-3-2-4-6-13/h2-6,11-12,18H,7-10H2,1H3,(H,16,19).
What are the key properties of N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 276.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 62370951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).