5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid

C22H32N2O3 — CID 134788866

IUPAC5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid
SMILESCCCN1CCCCC12Cc1ccccc1CN(C(=O)CCCC(=O)O)C2
InChIInChI=1S/C22H32N2O3/c1-2-13-24-14-6-5-12-22(24)15-18-8-3-4-9-19(18)16-23(17-22)20(25)10-7-11-21(26)27/h3-4,8-9H,2,5-7,10-17H2,1H3,(H,26,27)
InChIKeyDBAWTLSBOVVFHQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.46
Rot. Bonds6

About 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid

5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid (PubChem CID 134788866) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid
PubChem CID134788866
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid
SMILESCCCN1CCCCC12Cc1ccccc1CN(C(=O)CCCC(=O)O)C2
InChIInChI=1S/C22H32N2O3/c1-2-13-24-14-6-5-12-22(24)15-18-8-3-4-9-19(18)16-23(17-22)20(25)10-7-11-21(26)27/h3-4,8-9H,2,5-7,10-17H2,1H3,(H,26,27)
InChIKeyDBAWTLSBOVVFHQ-UHFFFAOYSA-N
XLogP3.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Benzhydrylpiperazin-1-yl)-5-oxopentanoic acid
CID 661389
(2S)-2-amino-5-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]-5-oxopentanoic acid
CID 122177346
Methyl 5-{methyl[(2-methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)methyl]amino}-5-oxopentanoate
CID 70745881
4-oxo-4-[1'-(2-phenylethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]butanoic acid
CID 134788188
1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)butan-1-one
CID 134789540
1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
CID 134789635
4-[1'-[2-(4-methylphenyl)ethyl]spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]-4-oxobutanoic acid
CID 134790146
5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-5-oxopentanoic acid
CID 2814972
5-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 2814975
5-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]-5-oxopentanoic acid
CID 134787245
5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)pentanoic acid
CID 134787397
5-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-5-oxopentanoic acid
CID 134787468

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid?
The IUPAC name of 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid (CID 134788866) is 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid?
The canonical SMILES for 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid is CCCN1CCCCC12Cc1ccccc1CN(C(=O)CCCC(=O)O)C2.
What is the InChIKey of 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid?
The InChIKey is DBAWTLSBOVVFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-2-13-24-14-6-5-12-22(24)15-18-8-3-4-9-19(18)16-23(17-22)20(25)10-7-11-21(26)27/h3-4,8-9H,2,5-7,10-17H2,1H3,(H,26,27).
What are the key properties of 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid?
5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid has a molecular weight of 372.51 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)pentanoic acid is sourced from PubChem (CID 134788866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).