3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide

C28H34N4O3 — CID 55840971

IUPAC3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)ccc1OCc1ccncc1
InChIInChI=1S/C28H34N4O3/c1-3-34-27-18-25(8-9-26(27)35-21-24-10-12-29-13-11-24)28(33)30-19-22-4-6-23(7-5-22)20-32-16-14-31(2)15-17-32/h4-13,18H,3,14-17,19-21H2,1-2H3,(H,30,33)
InChIKeyDCPMWOJZMRVELR-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.74
Rot. Bonds10

About 3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide

3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 55840971) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID55840971
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)ccc1OCc1ccncc1
InChIInChI=1S/C28H34N4O3/c1-3-34-27-18-25(8-9-26(27)35-21-24-10-12-29-13-11-24)28(33)30-19-22-4-6-23(7-5-22)20-32-16-14-31(2)15-17-32/h4-13,18H,3,14-17,19-21H2,1-2H3,(H,30,33)
InChIKeyDCPMWOJZMRVELR-UHFFFAOYSA-N
XLogP3.74
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)propyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46410731
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 43054762
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55558162
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55620577
3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840543
3-bromo-4-ethoxy-5-methoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 55727960
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 37267231
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 34986251

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide (CID 55840971) is 3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)ccc1OCc1ccncc1.
What is the InChIKey of 3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is DCPMWOJZMRVELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-3-34-27-18-25(8-9-26(27)35-21-24-10-12-29-13-11-24)28(33)30-19-22-4-6-23(7-5-22)20-32-16-14-31(2)15-17-32/h4-13,18H,3,14-17,19-21H2,1-2H3,(H,30,33).
What are the key properties of 3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide?
3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 474.61 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 55840971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).