5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate

C29H38N6O6 — CID 67599687

IUPAC5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
SMILESNC(=O)c1cccc(C2CNCCN2C(=O)OCCCCCOC(=O)N2CCNCC2c2ccccc2C(N)=O)c1
InChIInChI=1S/C29H38N6O6/c30-26(36)21-8-6-7-20(17-21)24-18-32-11-13-34(24)28(38)40-15-4-1-5-16-41-29(39)35-14-12-33-19-25(35)22-9-2-3-10-23(22)27(31)37/h2-3,6-10,17,24-25,32-33H,1,4-5,11-16,18-19H2,(H2,30,36)(H2,31,37)
InChIKeyMIGAXFNDWSVPHT-UHFFFAOYSA-N
MW566.66 g/mol
LogP1.92
Rot. Bonds10

About 5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate

5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate (PubChem CID 67599687) has the molecular formula C29H38N6O6 and a molecular weight of 566.66 g/mol. Its IUPAC name is 5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
PubChem CID67599687
Molecular FormulaC29H38N6O6
Molecular Weight566.66 g/mol
Exact Mass566.29
IUPAC Name5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
SMILESNC(=O)c1cccc(C2CNCCN2C(=O)OCCCCCOC(=O)N2CCNCC2c2ccccc2C(N)=O)c1
InChIInChI=1S/C29H38N6O6/c30-26(36)21-8-6-7-20(17-21)24-18-32-11-13-34(24)28(38)40-15-4-1-5-16-41-29(39)35-14-12-33-19-25(35)22-9-2-3-10-23(22)27(31)37/h2-3,6-10,17,24-25,32-33H,1,4-5,11-16,18-19H2,(H2,30,36)(H2,31,37)
InChIKeyMIGAXFNDWSVPHT-UHFFFAOYSA-N
XLogP1.92
TPSA169.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
CID 67600722
5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
CID 57085900
3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 120803238
3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride
CID 120731940
2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid
CID 150144828
3-[(1S,2S)-2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
CID 59454528
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
CID 67541062
[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride
CID 120803550
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 120802446
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 120801978

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate?
The IUPAC name of 5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate (CID 67599687) is 5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate.
What is the SMILES notation for 5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate?
The canonical SMILES for 5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate is NC(=O)c1cccc(C2CNCCN2C(=O)OCCCCCOC(=O)N2CCNCC2c2ccccc2C(N)=O)c1.
What is the InChIKey of 5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate?
The InChIKey is MIGAXFNDWSVPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O6/c30-26(36)21-8-6-7-20(17-21)24-18-32-11-13-34(24)28(38)40-15-4-1-5-16-41-29(39)35-14-12-33-19-25(35)22-9-2-3-10-23(22)27(31)37/h2-3,6-10,17,24-25,32-33H,1,4-5,11-16,18-19H2,(H2,30,36)(H2,31,37).
What are the key properties of 5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate?
5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate has a molecular weight of 566.66 g/mol, XLogP of 1.92, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 67599687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).