4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid

C22H25N3O3 — CID 151875161

IUPAC4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1cccc(N2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C22H25N3O3/c26-21(23-20-10-4-6-16-5-1-2-9-19(16)20)17-7-3-8-18(15-17)24-11-13-25(14-12-24)22(27)28/h1-3,5,7-9,15,20H,4,6,10-14H2,(H,23,26)(H,27,28)/t20-/m1/s1
InChIKeySNNBTFMDAXLDMW-HXUWFJFHSA-N
MW379.46 g/mol
LogP3.29
Rot. Bonds3

About 4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid

4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid (PubChem CID 151875161) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
PubChem CID151875161
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1cccc(N2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C22H25N3O3/c26-21(23-20-10-4-6-16-5-1-2-9-19(16)20)17-7-3-8-18(15-17)24-11-13-25(14-12-24)22(27)28/h1-3,5,7-9,15,20H,4,6,10-14H2,(H,23,26)(H,27,28)/t20-/m1/s1
InChIKeySNNBTFMDAXLDMW-HXUWFJFHSA-N
XLogP3.29
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
CID 3215286
4-piperidin-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679213
4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679214
3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4842813
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
3-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2441074
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2433897
6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11421045
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25408220
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
(3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 41244294

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid (CID 151875161) is 4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid is O=C(N[C@@H]1CCCc2ccccc21)c1cccc(N2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid?
The InChIKey is SNNBTFMDAXLDMW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(23-20-10-4-6-16-5-1-2-9-19(16)20)17-7-3-8-18(15-17)24-11-13-25(14-12-24)22(27)28/h1-3,5,7-9,15,20H,4,6,10-14H2,(H,23,26)(H,27,28)/t20-/m1/s1.
What are the key properties of 4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid?
4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 151875161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).