3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide

C29H36N4O3 — CID 55620577

IUPAC3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCCCN2CCN(C)CC2c2ccccc2)ccc1OCc1ccncc1
InChIInChI=1S/C29H36N4O3/c1-3-35-28-20-25(10-11-27(28)36-22-23-12-15-30-16-13-23)29(34)31-14-7-17-33-19-18-32(2)21-26(33)24-8-5-4-6-9-24/h4-6,8-13,15-16,20,26H,3,7,14,17-19,21-22H2,1-2H3,(H,31,34)
InChIKeyKJYZPBHGSMJUNX-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.17
Rot. Bonds11

About 3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide

3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 55620577) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is 3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID55620577
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Name3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCCCN2CCN(C)CC2c2ccccc2)ccc1OCc1ccncc1
InChIInChI=1S/C29H36N4O3/c1-3-35-28-20-25(10-11-27(28)36-22-23-12-15-30-16-13-23)29(34)31-14-7-17-33-19-18-32(2)21-26(33)24-8-5-4-6-9-24/h4-6,8-13,15-16,20,26H,3,7,14,17-19,21-22H2,1-2H3,(H,31,34)
InChIKeyKJYZPBHGSMJUNX-UHFFFAOYSA-N
XLogP4.17
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)propyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46410731
2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 55620653
3-bromo-4-ethoxy-5-methoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide
CID 55620797
3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840971
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide
CID 55620780
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 166205908
N-[2-(3-bromophenoxy)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55976654
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
methyl 3-[3-(4-methyl-2-phenylpiperazin-1-yl)propylcarbamoyl]-5-nitrobenzoate
CID 55620651
N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 37267231

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide (CID 55620577) is 3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)NCCCN2CCN(C)CC2c2ccccc2)ccc1OCc1ccncc1.
What is the InChIKey of 3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is KJYZPBHGSMJUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-3-35-28-20-25(10-11-27(28)36-22-23-12-15-30-16-13-23)29(34)31-14-7-17-33-19-18-32(2)21-26(33)24-8-5-4-6-9-24/h4-6,8-13,15-16,20,26H,3,7,14,17-19,21-22H2,1-2H3,(H,31,34).
What are the key properties of 3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide?
3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 488.63 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 55620577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).