(2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide

C15H25N3O3 — CID 142010852

IUPAC(2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1C(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H25N3O3/c1-16(2)15(21)12-7-6-10-18(12)14(20)11-17-9-5-3-4-8-13(17)19/h12H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyGXCCZGRZPOZWFO-LBPRGKRZSA-N
MW295.38 g/mol
LogP0.47
Rot. Bonds3

About (2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide

(2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 142010852) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID142010852
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1C(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H25N3O3/c1-16(2)15(21)12-7-6-10-18(12)14(20)11-17-9-5-3-4-8-13(17)19/h12H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyGXCCZGRZPOZWFO-LBPRGKRZSA-N
XLogP0.47
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371463
1-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119632444
2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61370469
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one;hydrochloride
CID 119651125
(2S)-1-[2-(2-oxopiperidin-1-yl)acetyl]-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 142159186
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 39954212
N-cyclohexyl-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 51075621
4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid
CID 119216347
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 119435273
1-[2-[2-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63249417
1-(cyclopropanecarbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717815
1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72837856

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide (CID 142010852) is (2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide is CN(C)C(=O)[C@@H]1CCCN1C(=O)CN1CCCCCC1=O.
What is the InChIKey of (2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is GXCCZGRZPOZWFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-16(2)15(21)12-7-6-10-18(12)14(20)11-17-9-5-3-4-8-13(17)19/h12H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide?
(2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142010852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).