N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide

C27H38N4O — CID 67606747

IUPACN,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
InChIInChI=1S/C27H38N4O/c1-26(2)12-13-27(3,4)22-18-20(10-11-21(22)26)23-8-7-9-24(28-23)31-16-14-30(15-17-31)19-25(32)29(5)6/h7-11,18H,12-17,19H2,1-6H3
InChIKeyLXRPFZPAOVIPRS-UHFFFAOYSA-N
MW434.63 g/mol
LogP4.31
Rot. Bonds4

About N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 67606747) has the molecular formula C27H38N4O and a molecular weight of 434.63 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID67606747
Molecular FormulaC27H38N4O
Molecular Weight434.63 g/mol
Exact Mass434.30
IUPAC NameN,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
InChIInChI=1S/C27H38N4O/c1-26(2)12-13-27(3,4)22-18-20(10-11-21(22)26)23-8-7-9-24(28-23)31-16-14-30(15-17-31)19-25(32)29(5)6/h7-11,18H,12-17,19H2,1-6H3
InChIKeyLXRPFZPAOVIPRS-UHFFFAOYSA-N
XLogP4.31
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 67606747) is N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide is CN(C)C(=O)CN1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is LXRPFZPAOVIPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O/c1-26(2)12-13-27(3,4)22-18-20(10-11-21(22)26)23-8-7-9-24(28-23)31-16-14-30(15-17-31)19-25(32)29(5)6/h7-11,18H,12-17,19H2,1-6H3.
What are the key properties of N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 434.63 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 67606747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).