N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride

C16H30ClN3O2 — CID 119697659

IUPACN,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(CC(=O)N1CCCC1C(=O)N(C)C)C1CCCNC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-12(13-6-4-8-17-11-13)10-15(20)19-9-5-7-14(19)16(21)18(2)3;/h12-14,17H,4-11H2,1-3H3;1H
InChIKeyWEEARBGUXYGSTG-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.51
Rot. Bonds4

About N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride

N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119697659) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119697659
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC NameN,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(CC(=O)N1CCCC1C(=O)N(C)C)C1CCCNC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-12(13-6-4-8-17-11-13)10-15(20)19-9-5-7-14(19)16(21)18(2)3;/h12-14,17H,4-11H2,1-3H3;1H
InChIKeyWEEARBGUXYGSTG-UHFFFAOYSA-N
XLogP1.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119785155
2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid
CID 81043675
1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 81043659
4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid
CID 115867435
1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 116674954
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
1-(2,6-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119792024
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671933
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 81047244
3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 81047905

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119697659) is N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride is CC(CC(=O)N1CCCC1C(=O)N(C)C)C1CCCNC1.Cl.
What is the InChIKey of N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WEEARBGUXYGSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-12(13-6-4-8-17-11-13)10-15(20)19-9-5-7-14(19)16(21)18(2)3;/h12-14,17H,4-11H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride?
N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119697659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).