1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride

C16H30ClN3O2 — CID 119425971

IUPAC1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)CC(=O)N1CCCC1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-16(2,3)10-14(20)19-9-5-7-13(19)15(21)18-12-6-4-8-17-11-12;/h12-13,17H,4-11H2,1-3H3,(H,18,21);1H
InChIKeyXBOIZVBZGZVJJC-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.70
Rot. Bonds3

About 1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride

1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119425971) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119425971
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)CC(=O)N1CCCC1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-16(2,3)10-14(20)19-9-5-7-13(19)15(21)18-12-6-4-8-17-11-12;/h12-13,17H,4-11H2,1-3H3,(H,18,21);1H
InChIKeyXBOIZVBZGZVJJC-UHFFFAOYSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119535072
N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 119602226
1-[2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119415727
(2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 51071442
N-cyclopropyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 61029481
N-cyclopropyl-1-(2-morpholin-2-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119728140
1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide
CID 109380565
1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119506295
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-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119424492
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
CID 134005373
1-(3,3-dimethylbutanoyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 136512000

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride (CID 119425971) is 1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride is CC(C)(C)CC(=O)N1CCCC1C(=O)NC1CCCNC1.Cl.
What is the InChIKey of 1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is XBOIZVBZGZVJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-16(2,3)10-14(20)19-9-5-7-13(19)15(21)18-12-6-4-8-17-11-12;/h12-13,17H,4-11H2,1-3H3,(H,18,21);1H.
What are the key properties of 1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride?
1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119425971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).