N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide

C15H20N2O3 — CID 111561014

IUPACN-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
SMILESO=C(NCCCC(=O)N1CC[C@@H](O)C1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c18-13-8-10-17(11-13)14(19)7-4-9-16-15(20)12-5-2-1-3-6-12/h1-3,5-6,13,18H,4,7-11H2,(H,16,20)/t13-/m1/s1
InChIKeyGASFZLMRRLOQPY-CYBMUJFWSA-N
MW276.34 g/mol
LogP0.79
Rot. Bonds5

About N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide

N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide (PubChem CID 111561014) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
PubChem CID111561014
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
SMILESO=C(NCCCC(=O)N1CC[C@@H](O)C1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c18-13-8-10-17(11-13)14(19)7-4-9-16-15(20)12-5-2-1-3-6-12/h1-3,5-6,13,18H,4,7-11H2,(H,16,20)/t13-/m1/s1
InChIKeyGASFZLMRRLOQPY-CYBMUJFWSA-N
XLogP0.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119487124
N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 79030088
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
CID 110903684
N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
CID 51296252
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119398775
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 62917113
4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
CID 39582079
N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide
CID 97064108
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]benzamide
CID 119418551
1-[(3S)-3-hydroxypyrrolidin-1-yl]-4-phenylsulfanylbutan-1-one
CID 79029544
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide (CID 111561014) is N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide is O=C(NCCCC(=O)N1CC[C@@H](O)C1)c1ccccc1.
What is the InChIKey of N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide?
The InChIKey is GASFZLMRRLOQPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13-8-10-17(11-13)14(19)7-4-9-16-15(20)12-5-2-1-3-6-12/h1-3,5-6,13,18H,4,7-11H2,(H,16,20)/t13-/m1/s1.
What are the key properties of N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide?
N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide has a molecular weight of 276.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide is sourced from PubChem (CID 111561014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).