[(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone

C22H32N2O2 — CID 110285892

IUPAC[(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C22H32N2O2/c1-16-11-14-23(15-12-16)21(26)19-6-5-13-24(19)20(25)17-7-9-18(10-8-17)22(2,3)4/h7-10,16,19H,5-6,11-15H2,1-4H3/t19-/m0/s1
InChIKeyDKLMARHYUHPJEH-IBGZPJMESA-N
MW356.51 g/mol
LogP3.85
Rot. Bonds2

About [(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone

[(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 110285892) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID110285892
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name[(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C22H32N2O2/c1-16-11-14-23(15-12-16)21(26)19-6-5-13-24(19)20(25)17-7-9-18(10-8-17)22(2,3)4/h7-10,16,19H,5-6,11-15H2,1-4H3/t19-/m0/s1
InChIKeyDKLMARHYUHPJEH-IBGZPJMESA-N
XLogP3.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(2,3-dimethylquinoxaline-6-carbonyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305814
[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285877
(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
(E)-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 110305827
(4-aminopiperidin-1-yl)-[3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119374213
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
1-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42702614
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 86804882
(2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366174
(4-tert-butylphenyl)-(3-chloropiperidin-1-yl)methanone
CID 63392824

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 110285892) is [(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of [(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is DKLMARHYUHPJEH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H32N2O2/c1-16-11-14-23(15-12-16)21(26)19-6-5-13-24(19)20(25)17-7-9-18(10-8-17)22(2,3)4/h7-10,16,19H,5-6,11-15H2,1-4H3/t19-/m0/s1.
What are the key properties of [(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 356.51 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110285892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).