5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

C26H37N3O4 — CID 110201704

IUPAC5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCOc1ccc(C2(C(=O)N3CCC(C(=O)N4CCCCCCNC(=O)CC4)CC3)CC2)cc1
InChIInChI=1S/C26H37N3O4/c1-33-22-8-6-21(7-9-22)26(13-14-26)25(32)29-17-10-20(11-18-29)24(31)28-16-5-3-2-4-15-27-23(30)12-19-28/h6-9,20H,2-5,10-19H2,1H3,(H,27,30)
InChIKeyBJWZZTDXIDGRSC-UHFFFAOYSA-N
MW455.60 g/mol
LogP2.87
Rot. Bonds4

About 5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201704) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is 5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
PubChem CID110201704
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC Name5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCOc1ccc(C2(C(=O)N3CCC(C(=O)N4CCCCCCNC(=O)CC4)CC3)CC2)cc1
InChIInChI=1S/C26H37N3O4/c1-33-22-8-6-21(7-9-22)26(13-14-26)25(32)29-17-10-20(11-18-29)24(31)28-16-5-3-2-4-15-27-23(30)12-19-28/h6-9,20H,2-5,10-19H2,1H3,(H,27,30)
InChIKeyBJWZZTDXIDGRSC-UHFFFAOYSA-N
XLogP2.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one 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

5-[1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201685
azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone
CID 55607122
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
1-[1-(4-fluorophenyl)cyclohexanecarbonyl]-1,4-diazepan-5-one
CID 56821181
5-[1-(1-methylpyrrole-2-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201705
1-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,4-diazepan-5-one
CID 56821257
5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708
4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid
CID 56870037
N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide
CID 110201725
[1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91919120
1-[1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one
CID 72899093
[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone
CID 110485731

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (CID 110201704) is 5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is COc1ccc(C2(C(=O)N3CCC(C(=O)N4CCCCCCNC(=O)CC4)CC3)CC2)cc1.
What is the InChIKey of 5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The InChIKey is BJWZZTDXIDGRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-33-22-8-6-21(7-9-22)26(13-14-26)25(32)29-17-10-20(11-18-29)24(31)28-16-5-3-2-4-15-27-23(30)12-19-28/h6-9,20H,2-5,10-19H2,1H3,(H,27,30).
What are the key properties of 5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one has a molecular weight of 455.60 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).