N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide

C25H37N3O5 — CID 70505550

IUPACN-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide
SMILESCOc1cc(C=CC(=O)N2CCN(C(C)C(=O)NC3CCCCC3)CC2)cc(OC)c1OC
InChIInChI=1S/C25H37N3O5/c1-18(25(30)26-20-8-6-5-7-9-20)27-12-14-28(15-13-27)23(29)11-10-19-16-21(31-2)24(33-4)22(17-19)32-3/h10-11,16-18,20H,5-9,12-15H2,1-4H3,(H,26,30)
InChIKeyKZKOEUAZZARFEQ-UHFFFAOYSA-N
MW459.59 g/mol
LogP2.71
Rot. Bonds8

About N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide

N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide (PubChem CID 70505550) has the molecular formula C25H37N3O5 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide
PubChem CID70505550
Molecular FormulaC25H37N3O5
Molecular Weight459.59 g/mol
Exact Mass459.27
IUPAC NameN-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide
SMILESCOc1cc(C=CC(=O)N2CCN(C(C)C(=O)NC3CCCCC3)CC2)cc(OC)c1OC
InChIInChI=1S/C25H37N3O5/c1-18(25(30)26-20-8-6-5-7-9-20)27-12-14-28(15-13-27)23(29)11-10-19-16-21(31-2)24(33-4)22(17-19)32-3/h10-11,16-18,20H,5-9,12-15H2,1-4H3,(H,26,30)
InChIKeyKZKOEUAZZARFEQ-UHFFFAOYSA-N
XLogP2.71
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide
CID 13340436
(E)-1-piperidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 1051540
3-(3,4,5-trimethoxyphenyl)-1-[6-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,6-diazecan-1-yl]prop-2-en-1-one
CID 162851522
tert-butyl N-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]carbamate
CID 55736349
(E)-1-(4-methylsulfonylpiperidin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90585187
1-[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 54428673
1-[4-[1-hydroxy-1-(4-propan-2-ylthiophen-2-yl)propan-2-yl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 70455993
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
(E)-1-(6-azaspiro[3.4]octan-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 171678586
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
[2-(cyclopentylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 5111073
(2E,4E,6E)-1-piperidin-1-yl-7-(3,4,5-trimethoxyphenyl)hepta-2,4,6-trien-1-one
CID 118715509

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide (CID 70505550) is N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide is COc1cc(C=CC(=O)N2CCN(C(C)C(=O)NC3CCCCC3)CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide?
The InChIKey is KZKOEUAZZARFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O5/c1-18(25(30)26-20-8-6-5-7-9-20)27-12-14-28(15-13-27)23(29)11-10-19-16-21(31-2)24(33-4)22(17-19)32-3/h10-11,16-18,20H,5-9,12-15H2,1-4H3,(H,26,30).
What are the key properties of N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide?
N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide has a molecular weight of 459.59 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 70505550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).