(3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide

C14H26N4O2 — CID 96512803

IUPAC(3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1N(C)C
InChIInChI=1S/C14H26N4O2/c1-10-7-18(9-12(10)16(2)3)13(19)11-5-4-6-17(8-11)14(15)20/h10-12H,4-9H2,1-3H3,(H2,15,20)/t10-,11-,12+/m1/s1
InChIKeyFOBIFMRCNBBONG-UTUOFQBUSA-N
MW282.39 g/mol
LogP0.19
Rot. Bonds2

About (3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide

(3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 96512803) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is (3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID96512803
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name(3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1N(C)C
InChIInChI=1S/C14H26N4O2/c1-10-7-18(9-12(10)16(2)3)13(19)11-5-4-6-17(8-11)14(15)20/h10-12H,4-9H2,1-3H3,(H2,15,20)/t10-,11-,12+/m1/s1
InChIKeyFOBIFMRCNBBONG-UTUOFQBUSA-N
XLogP0.19
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 129425637
(3-aminocyclopentyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464820
3-(3-hydroxypyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 62916410
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
(2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464588
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
3-methylpiperidine-1-carboxamide
CID 16786142
(3S,4S)-1-(1-carbamoylpiperidine-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951785
3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295
3-(2-azaspiro[4.5]decane-2-carbonyl)piperidine-1-carboxamide
CID 71929504
(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97113057
4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66235535

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide (CID 96512803) is (3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide is C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1N(C)C.
What is the InChIKey of (3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is FOBIFMRCNBBONG-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10-7-18(9-12(10)16(2)3)13(19)11-5-4-6-17(8-11)14(15)20/h10-12H,4-9H2,1-3H3,(H2,15,20)/t10-,11-,12+/m1/s1.
What are the key properties of (3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide?
(3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 96512803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).