N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

C27H36N4O3 — CID 4236569

IUPACN-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
SMILESCCCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C27H36N4O3/c1-3-4-5-10-26(32)28-21-13-14-23(22(19-21)27(33)29-20-11-12-20)30-15-17-31(18-16-30)24-8-6-7-9-25(24)34-2/h6-9,13-14,19-20H,3-5,10-12,15-18H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyIPHWSXHNMUKRKY-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.43
Rot. Bonds10

About N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (PubChem CID 4236569) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
PubChem CID4236569
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
SMILESCCCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C27H36N4O3/c1-3-4-5-10-26(32)28-21-13-14-23(22(19-21)27(33)29-20-11-12-20)30-15-17-31(18-16-30)24-8-6-7-9-25(24)34-2/h6-9,13-14,19-20H,3-5,10-12,15-18H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyIPHWSXHNMUKRKY-UHFFFAOYSA-N
XLogP4.43
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3302040
5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42757363
5-(decanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylbenzamide
CID 4546349
5-(decanoylamino)-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4603623
N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide
CID 3975573
N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 42757134
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide
CID 3294250
2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide
CID 4012959
N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 1066513
5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide
CID 3541895
5-[(2-bromobenzoyl)amino]-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 1066531
5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide
CID 4007114

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (CID 4236569) is N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is CCCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
The InChIKey is IPHWSXHNMUKRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-3-4-5-10-26(32)28-21-13-14-23(22(19-21)27(33)29-20-11-12-20)30-15-17-31(18-16-30)24-8-6-7-9-25(24)34-2/h6-9,13-14,19-20H,3-5,10-12,15-18H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide has a molecular weight of 464.61 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 4236569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).