N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide

C23H43N3O2 — CID 176594591

IUPACN-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide
SMILESCN1C[C@@H](N2CCC(C(=O)NCCC(=O)C(C)(C)C)CC2)C[C@H]1CC(C)(C)C
InChIInChI=1S/C23H43N3O2/c1-22(2,3)15-18-14-19(16-25(18)7)26-12-9-17(10-13-26)21(28)24-11-8-20(27)23(4,5)6/h17-19H,8-16H2,1-7H3,(H,24,28)/t18-,19-/m0/s1
InChIKeyKLLKXTYOJSINRG-OALUTQOASA-N
MW393.62 g/mol
LogP3.33
Rot. Bonds6

About N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide

N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 176594591) has the molecular formula C23H43N3O2 and a molecular weight of 393.62 g/mol. Its IUPAC name is N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID176594591
Molecular FormulaC23H43N3O2
Molecular Weight393.62 g/mol
Exact Mass393.34
IUPAC NameN-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide
SMILESCN1C[C@@H](N2CCC(C(=O)NCCC(=O)C(C)(C)C)CC2)C[C@H]1CC(C)(C)C
InChIInChI=1S/C23H43N3O2/c1-22(2,3)15-18-14-19(16-25(18)7)26-12-9-17(10-13-26)21(28)24-11-8-20(27)23(4,5)6/h17-19H,8-16H2,1-7H3,(H,24,28)/t18-,19-/m0/s1
InChIKeyKLLKXTYOJSINRG-OALUTQOASA-N
XLogP3.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 58055825
1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 118768994
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide
CID 119062469
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881490
1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 42881380
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881485
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 118770462
1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 62656990
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide (CID 176594591) is N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide is CN1C[C@@H](N2CCC(C(=O)NCCC(=O)C(C)(C)C)CC2)C[C@H]1CC(C)(C)C.
What is the InChIKey of N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is KLLKXTYOJSINRG-OALUTQOASA-N. The full InChI is InChI=1S/C23H43N3O2/c1-22(2,3)15-18-14-19(16-25(18)7)26-12-9-17(10-13-26)21(28)24-11-8-20(27)23(4,5)6/h17-19H,8-16H2,1-7H3,(H,24,28)/t18-,19-/m0/s1.
What are the key properties of N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide?
N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 393.62 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 176594591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).