2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide

C27H35N3O4 — CID 55987318

IUPAC2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)cc2)c1
InChIInChI=1S/C27H35N3O4/c1-33-25-9-5-8-23(18-25)28-26(31)20-34-24-12-10-22(11-13-24)27(32)30-16-14-29(15-17-30)19-21-6-3-2-4-7-21/h5,8-13,18,21H,2-4,6-7,14-17,19-20H2,1H3,(H,28,31)
InChIKeyRMKLBBXNIVGEHM-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.05
Rot. Bonds8

About 2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide

2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide (PubChem CID 55987318) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is 2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide
PubChem CID55987318
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Name2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)cc2)c1
InChIInChI=1S/C27H35N3O4/c1-33-25-9-5-8-23(18-25)28-26(31)20-34-24-12-10-22(11-13-24)27(32)30-16-14-29(15-17-30)19-21-6-3-2-4-7-21/h5,8-13,18,21H,2-4,6-7,14-17,19-20H2,1H3,(H,28,31)
InChIKeyRMKLBBXNIVGEHM-UHFFFAOYSA-N
XLogP4.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616
ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate
CID 35508706
N-(3-methoxyphenyl)-2-[4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenoxy]acetamide
CID 24653239
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
[2-(cyclopentylamino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539000
3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 55987572
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 55319011
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide
CID 119452649
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 154775568

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide (CID 55987318) is 2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)cc2)c1.
What is the InChIKey of 2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide?
The InChIKey is RMKLBBXNIVGEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-33-25-9-5-8-23(18-25)28-26(31)20-34-24-12-10-22(11-13-24)27(32)30-16-14-29(15-17-30)19-21-6-3-2-4-7-21/h5,8-13,18,21H,2-4,6-7,14-17,19-20H2,1H3,(H,28,31).
What are the key properties of 2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide?
2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide has a molecular weight of 465.59 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 55987318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).