(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid

C22H23N3O3 — CID 129382470

IUPAC(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1
InChIInChI=1S/C22H23N3O3/c26-21(24-14-6-7-16(15-24)22(27)28)13-12-20-23-18-10-4-5-11-19(18)25(20)17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2,(H,27,28)/t16-/m1/s1
InChIKeyGQBSZNVCOLSVGD-MRXNPFEDSA-N
MW377.44 g/mol
LogP3.28
Rot. Bonds5

About (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid

(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 129382470) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
PubChem CID129382470
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1
InChIInChI=1S/C22H23N3O3/c26-21(24-14-6-7-16(15-24)22(27)28)13-12-20-23-18-10-4-5-11-19(18)25(20)17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2,(H,27,28)/t16-/m1/s1
InChIKeyGQBSZNVCOLSVGD-MRXNPFEDSA-N
XLogP3.28
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 125134380
3-(1-phenylbenzimidazol-2-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 52896555
6-methyl-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 122114448
1-(1,4-diazepan-1-yl)-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 119414087
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119538394
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119630899
1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 52894444
(3R)-1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 99633817
3-(3-phenylimidazo[4,5-b]pyridin-2-yl)-1-piperidin-1-ylpropan-1-one
CID 6622705
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 3904421
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119434460
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 112836732

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid (CID 129382470) is (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1.
What is the InChIKey of (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is GQBSZNVCOLSVGD-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(24-14-6-7-16(15-24)22(27)28)13-12-20-23-18-10-4-5-11-19(18)25(20)17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2,(H,27,28)/t16-/m1/s1.
What are the key properties of (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid?
(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129382470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).