N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide

C29H43N3O2 — CID 11798397

IUPACN,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCCCCN(CCCC)C(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C29H43N3O2/c1-5-7-16-32(17-8-6-2)29(33)26-13-11-12-25(22-26)23-30-18-20-31(21-19-30)27-14-9-10-15-28(27)34-24(3)4/h9-15,22,24H,5-8,16-21,23H2,1-4H3
InChIKeyMPYXUZCMIJMANC-UHFFFAOYSA-N
MW465.68 g/mol
LogP5.84
Rot. Bonds12

About N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide

N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 11798397) has the molecular formula C29H43N3O2 and a molecular weight of 465.68 g/mol. Its IUPAC name is N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide
PubChem CID11798397
Molecular FormulaC29H43N3O2
Molecular Weight465.68 g/mol
Exact Mass465.34
IUPAC NameN,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCCCCN(CCCC)C(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C29H43N3O2/c1-5-7-16-32(17-8-6-2)29(33)26-13-11-12-25(22-26)23-30-18-20-31(21-19-30)27-14-9-10-15-28(27)34-24(3)4/h9-15,22,24H,5-8,16-21,23H2,1-4H3
InChIKeyMPYXUZCMIJMANC-UHFFFAOYSA-N
XLogP5.84
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.68
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fluanisone
CID 15139
AR-C-239
CID 609483
2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
Upidosin
CID 148842
BP-897
CID 3038494
GR-103691
CID 4302960
Nan 190
CID 4431
Mazapertine
CID 60820
N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
Mazapertine Succinate
CID 60819

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide (CID 11798397) is N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide is CCCCN(CCCC)C(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1.
What is the InChIKey of N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is MPYXUZCMIJMANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N3O2/c1-5-7-16-32(17-8-6-2)29(33)26-13-11-12-25(22-26)23-30-18-20-31(21-19-30)27-14-9-10-15-28(27)34-24(3)4/h9-15,22,24H,5-8,16-21,23H2,1-4H3.
What are the key properties of N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide?
N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 465.68 g/mol, XLogP of 5.84, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 11798397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).