N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide

C26H36N4O2 — CID 139471542

IUPACN-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCCOCC1)c1ccccn1
InChIInChI=1S/C26H36N4O2/c1-2-25(31)30(24-11-6-7-14-27-24)22-26(12-8-19-32-20-13-26)29-17-15-28(16-18-29)21-23-9-4-3-5-10-23/h3-7,9-11,14H,2,8,12-13,15-22H2,1H3
InChIKeyZSJJBIIEMAPKDA-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.58
Rot. Bonds7

About N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide

N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide (PubChem CID 139471542) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide
PubChem CID139471542
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC NameN-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCCOCC1)c1ccccn1
InChIInChI=1S/C26H36N4O2/c1-2-25(31)30(24-11-6-7-14-27-24)22-26(12-8-19-32-20-13-26)29-17-15-28(16-18-29)21-23-9-4-3-5-10-23/h3-7,9-11,14H,2,8,12-13,15-22H2,1H3
InChIKeyZSJJBIIEMAPKDA-UHFFFAOYSA-N
XLogP3.58
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide
CID 126509121
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 139462043
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(5-fluoro-3-pyridinyl)propanamide
CID 126508959
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
CID 126539472
N-[[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]oxan-4-yl]methyl]-N-phenylpropanamide
CID 126539476
N-(6-methyl-2-pyridinyl)-N-[[4-[4-(2-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 157152523
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 137371452
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide
CID 126508904
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-methoxy-N-phenylacetamide
CID 137371296
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-methoxyphenyl)propanamide
CID 126509200
N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide
CID 137371248
N-[[4-(4-benzylpiperazin-1-yl)-2,2-dimethyloxan-4-yl]methyl]-N-(3-cyano-2-pyridinyl)propanamide
CID 126538882

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide?
The IUPAC name of N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide (CID 139471542) is N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide is CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCCOCC1)c1ccccn1.
What is the InChIKey of N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide?
The InChIKey is ZSJJBIIEMAPKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-2-25(31)30(24-11-6-7-14-27-24)22-26(12-8-19-32-20-13-26)29-17-15-28(16-18-29)21-23-9-4-3-5-10-23/h3-7,9-11,14H,2,8,12-13,15-22H2,1H3.
What are the key properties of N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide?
N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide has a molecular weight of 436.60 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 139471542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).