N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide

C27H38N4O3 — CID 3975573

IUPACN-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC(C)CC)c1
InChIInChI=1S/C27H38N4O3/c1-5-7-12-26(32)29-21-13-14-23(22(19-21)27(33)28-20(3)6-2)30-15-17-31(18-16-30)24-10-8-9-11-25(24)34-4/h8-11,13-14,19-20H,5-7,12,15-18H2,1-4H3,(H,28,33)(H,29,32)
InChIKeyKMSZFWKXDGRDTO-UHFFFAOYSA-N
MW466.63 g/mol
LogP4.68
Rot. Bonds10

About N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide

N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide (PubChem CID 3975573) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide
PubChem CID3975573
Molecular FormulaC27H38N4O3
Molecular Weight466.63 g/mol
Exact Mass466.29
IUPAC NameN-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC(C)CC)c1
InChIInChI=1S/C27H38N4O3/c1-5-7-12-26(32)29-21-13-14-23(22(19-21)27(33)28-20(3)6-2)30-15-17-31(18-16-30)24-10-8-9-11-25(24)34-4/h8-11,13-14,19-20H,5-7,12,15-18H2,1-4H3,(H,28,33)(H,29,32)
InChIKeyKMSZFWKXDGRDTO-UHFFFAOYSA-N
XLogP4.68
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(decanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylbenzamide
CID 4546349
N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-2,6-dimethoxybenzamide
CID 5134441
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide
CID 3294250
N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4042669
N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 5111456
N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4236569
N-butan-2-yl-5-[(3-chlorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3251085
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 42752791
5-[(2-bromophenyl)carbamoylamino]-N-[(2S)-butan-2-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 1065353
N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3302040
N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-nitrobenzoyl)amino]benzamide
CID 42755713
5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide
CID 3541895

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide?
The IUPAC name of N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide (CID 3975573) is N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC(C)CC)c1.
What is the InChIKey of N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide?
The InChIKey is KMSZFWKXDGRDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-5-7-12-26(32)29-21-13-14-23(22(19-21)27(33)28-20(3)6-2)30-15-17-31(18-16-30)24-10-8-9-11-25(24)34-4/h8-11,13-14,19-20H,5-7,12,15-18H2,1-4H3,(H,28,33)(H,29,32).
What are the key properties of N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide?
N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide has a molecular weight of 466.63 g/mol, XLogP of 4.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide is sourced from PubChem (CID 3975573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).