1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid

C17H20F2N2O3 — CID 122015773

IUPAC1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)C1
InChIInChI=1S/C17H20F2N2O3/c18-11-7-13-12(14(19)8-11)4-1-5-15(13)20-17(24)21-6-2-3-10(9-21)16(22)23/h7-8,10,15H,1-6,9H2,(H,20,24)(H,22,23)/t10?,15-/m1/s1
InChIKeyBAPBLQGKDKTDMO-GENIYJEYSA-N
MW338.35 g/mol
LogP2.85
Rot. Bonds2

About 1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122015773) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122015773
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)C1
InChIInChI=1S/C17H20F2N2O3/c18-11-7-13-12(14(19)8-11)4-1-5-15(13)20-17(24)21-6-2-3-10(9-21)16(22)23/h7-8,10,15H,1-6,9H2,(H,20,24)(H,22,23)/t10?,15-/m1/s1
InChIKeyBAPBLQGKDKTDMO-GENIYJEYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid 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

(3S,4S)-1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122015779
(3S)-1-[(2,4,6-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119479
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120603
1-[(2-bromo-4,6-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43347865
(3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120954
1-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015135
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63791734
(3S)-1-[2-(2,4-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81120918

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122015773) is 1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)C1.
What is the InChIKey of 1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BAPBLQGKDKTDMO-GENIYJEYSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c18-11-7-13-12(14(19)8-11)4-1-5-15(13)20-17(24)21-6-2-3-10(9-21)16(22)23/h7-8,10,15H,1-6,9H2,(H,20,24)(H,22,23)/t10?,15-/m1/s1.
What are the key properties of 1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 338.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122015773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).