(2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride

C17H32ClN3O2 — CID 146119390

IUPAC(2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride
SMILESCNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)N1CCCCC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-13(2)12-15(16(21)18-3)20-11-7-8-14(20)17(22)19-9-5-4-6-10-19;/h13-15H,4-12H2,1-3H3,(H,18,21);1H/t14-,15+;/m0./s1
InChIKeyKWZCJILCPUVTDA-LDXVYITESA-N
MW345.92 g/mol
LogP2.05
Rot. Bonds5

About (2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride

(2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride (PubChem CID 146119390) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is (2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride
PubChem CID146119390
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC Name(2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride
SMILESCNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)N1CCCCC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-13(2)12-15(16(21)18-3)20-11-7-8-14(20)17(22)19-9-5-4-6-10-19;/h13-15H,4-12H2,1-3H3,(H,18,21);1H/t14-,15+;/m0./s1
InChIKeyKWZCJILCPUVTDA-LDXVYITESA-N
XLogP2.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride with MolForge

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Related Compounds

(2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 75411365
(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride
CID 146119399
(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 75529695
1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
CID 170366358
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 75411518
4-methyl-2-(methylamino)-1-piperidin-1-ylpentan-1-one
CID 110838084
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
2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 138029015
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119364788

Frequently Asked Questions

What is the IUPAC name of (2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride?
The IUPAC name of (2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride (CID 146119390) is (2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride.
What is the SMILES notation for (2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride?
The canonical SMILES for (2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride is CNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)N1CCCCC1.Cl.
What is the InChIKey of (2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride?
The InChIKey is KWZCJILCPUVTDA-LDXVYITESA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c1-13(2)12-15(16(21)18-3)20-11-7-8-14(20)17(22)19-9-5-4-6-10-19;/h13-15H,4-12H2,1-3H3,(H,18,21);1H/t14-,15+;/m0./s1.
What are the key properties of (2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride?
(2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride is sourced from PubChem (CID 146119390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).