(3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide

C17H29N3O3 — CID 95332251

IUPAC(3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
SMILESCC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C17H29N3O3/c1-17(2,3)10-14(21)20-9-5-7-13(20)16(23)19-8-4-6-12(11-19)15(18)22/h12-13H,4-11H2,1-3H3,(H2,18,22)/t12-,13+/m1/s1
InChIKeyVOXCJKWGQKAFNW-OLZOCXBDSA-N
MW323.44 g/mol
LogP1.14
Rot. Bonds3

About (3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide

(3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide (PubChem CID 95332251) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is (3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
PubChem CID95332251
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name(3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
SMILESCC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C17H29N3O3/c1-17(2,3)10-14(21)20-9-5-7-13(20)16(23)19-8-4-6-12(11-19)15(18)22/h12-13H,4-11H2,1-3H3,(H2,18,22)/t12-,13+/m1/s1
InChIKeyVOXCJKWGQKAFNW-OLZOCXBDSA-N
XLogP1.14
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-[1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 119480372
1-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 119410683
1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 119594164
3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione
CID 10928641
1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 120657949
1-[2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119415727
3,3-dimethyl-1-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119544158
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-(1-propanoylpiperidine-4-carbonyl)piperidine-3-carboxamide
CID 131937805
2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 102537702

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide (CID 95332251) is (3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide is CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is VOXCJKWGQKAFNW-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-17(2,3)10-14(21)20-9-5-7-13(20)16(23)19-8-4-6-12(11-19)15(18)22/h12-13H,4-11H2,1-3H3,(H2,18,22)/t12-,13+/m1/s1.
What are the key properties of (3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide?
(3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 95332251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).