1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid

C14H25N3O3 — CID 43586350

IUPAC1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
SMILESCN(C)C1CCN(C(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-15(2)12-5-8-16(9-6-12)14(20)17-7-3-4-11(10-17)13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyNWHMCEJVLBPAAN-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.93
Rot. Bonds2

About 1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid

1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid (PubChem CID 43586350) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
PubChem CID43586350
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
SMILESCN(C)C1CCN(C(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-15(2)12-5-8-16(9-6-12)14(20)17-7-3-4-11(10-17)13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyNWHMCEJVLBPAAN-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
1-(4-methylsulfanylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 123306117
(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 104941009
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
(3R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 81126775
(3R)-1-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120190
(3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
CID 81121128
1-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030858

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid (CID 43586350) is 1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid is CN(C)C1CCN(C(=O)N2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is NWHMCEJVLBPAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-15(2)12-5-8-16(9-6-12)14(20)17-7-3-4-11(10-17)13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43586350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).