2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone

C27H32N4O2 — CID 158576875

IUPAC2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone
SMILESCN1CCC(CC(=O)c2ccc(-c3cc(NC4CCOCC4)c4cnccc4n3)cc2)CC1
InChIInChI=1S/C27H32N4O2/c1-31-12-7-19(8-13-31)16-27(32)21-4-2-20(3-5-21)25-17-26(29-22-9-14-33-15-10-22)23-18-28-11-6-24(23)30-25/h2-6,11,17-19,22H,7-10,12-16H2,1H3,(H,29,30)
InChIKeyIFCIFCCLEGAFQQ-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.80
Rot. Bonds6

About 2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone

2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone (PubChem CID 158576875) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone
PubChem CID158576875
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone
SMILESCN1CCC(CC(=O)c2ccc(-c3cc(NC4CCOCC4)c4cnccc4n3)cc2)CC1
InChIInChI=1S/C27H32N4O2/c1-31-12-7-19(8-13-31)16-27(32)21-4-2-20(3-5-21)25-17-26(29-22-9-14-33-15-10-22)23-18-28-11-6-24(23)30-25/h2-6,11,17-19,22H,7-10,12-16H2,1H3,(H,29,30)
InChIKeyIFCIFCCLEGAFQQ-UHFFFAOYSA-N
XLogP4.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone with MolForge

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Related Compounds

N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide
CID 135372029
5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one
CID 160614517
1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone
CID 157103187
4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide
CID 135372458
4-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-1,6-naphthyridin-2-yl]benzoic acid
CID 142467377
1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide
CID 135372487
N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide
CID 135372997
ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine
CID 158676673
(E)-N-(1-methylpiperidin-4-yl)-3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]prop-2-enamide
CID 135373118
(E)-N-(1-methylpiperidin-4-yl)-3-[4-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]phenyl]prop-2-enamide
CID 142467277
N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide
CID 135373155
1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid
CID 158355806

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone (CID 158576875) is 2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone is CN1CCC(CC(=O)c2ccc(-c3cc(NC4CCOCC4)c4cnccc4n3)cc2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone?
The InChIKey is IFCIFCCLEGAFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-31-12-7-19(8-13-31)16-27(32)21-4-2-20(3-5-21)25-17-26(29-22-9-14-33-15-10-22)23-18-28-11-6-24(23)30-25/h2-6,11,17-19,22H,7-10,12-16H2,1H3,(H,29,30).
What are the key properties of 2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone?
2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone has a molecular weight of 444.58 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone is sourced from PubChem (CID 158576875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).