(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide

C24H31N3O2 — CID 11731962

IUPAC(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)27-19-17-26(18-20-27)16-8-7-15-25-24(28)14-13-21-9-3-2-4-10-21/h2-6,9-14H,7-8,15-20H2,1H3,(H,25,28)/b14-13+
InChIKeyHRXRYNFLHBSTFS-BUHFOSPRSA-N
MW393.53 g/mol
LogP3.43
Rot. Bonds9

About (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide

(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide (PubChem CID 11731962) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide
PubChem CID11731962
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)27-19-17-26(18-20-27)16-8-7-15-25-24(28)14-13-21-9-3-2-4-10-21/h2-6,9-14H,7-8,15-20H2,1H3,(H,25,28)/b14-13+
InChIKeyHRXRYNFLHBSTFS-BUHFOSPRSA-N
XLogP3.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Fluanisone
CID 15139
Urapidil
CID 5639
1-(2-Methoxyphenyl)piperazine
CID 1346
2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
5-Methylurapidil
CID 5640
GR-103691
CID 4302960
Urapidil hydrochloride
CID 167980
N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
2-Ethoxy-2'-ethyloxanilide
CID 90303
LR 511
CID 68696
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide (CID 11731962) is (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide is COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide?
The InChIKey is HRXRYNFLHBSTFS-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)27-19-17-26(18-20-27)16-8-7-15-25-24(28)14-13-21-9-3-2-4-10-21/h2-6,9-14H,7-8,15-20H2,1H3,(H,25,28)/b14-13+.
What are the key properties of (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide?
(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide has a molecular weight of 393.53 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 11731962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).