1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid

C16H27N3O4 — CID 122002090

IUPAC1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)C1(CNC(=O)N2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C16H27N3O4/c1-18(2)14(22)16(7-3-4-8-16)11-17-15(23)19-9-5-12(6-10-19)13(20)21/h12H,3-11H2,1-2H3,(H,17,23)(H,20,21)
InChIKeyGVBBIAYDNBGLCB-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.14
Rot. Bonds4

About 1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid

1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122002090) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122002090
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)C1(CNC(=O)N2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C16H27N3O4/c1-18(2)14(22)16(7-3-4-8-16)11-17-15(23)19-9-5-12(6-10-19)13(20)21/h12H,3-11H2,1-2H3,(H,17,23)(H,20,21)
InChIKeyGVBBIAYDNBGLCB-UHFFFAOYSA-N
XLogP1.14
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006584
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
1-[[[4-(dimethylamino)piperidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451277
1-[[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434458
1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122015594
1-[(2-cyclopropyl-3-methyloxolan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122010310
N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 109425867
1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 75426929
9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989830
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
1-(2-chloroethylcarbamoyl)piperidine-4-carboxylic acid
CID 16769941
4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673700

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid (CID 122002090) is 1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid is CN(C)C(=O)C1(CNC(=O)N2CCC(C(=O)O)CC2)CCCC1.
What is the InChIKey of 1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is GVBBIAYDNBGLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-18(2)14(22)16(7-3-4-8-16)11-17-15(23)19-9-5-12(6-10-19)13(20)21/h12H,3-11H2,1-2H3,(H,17,23)(H,20,21).
What are the key properties of 1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid?
1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122002090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).