8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one

C21H30N4O2 — CID 91826677

IUPAC8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C21H30N4O2/c1-14-11-16-7-10-23-20(19(16)25-21(14)26)24-17-8-9-22-12-18(17)27-13-15-5-3-2-4-6-15/h7,10-11,15,17-18,22H,2-6,8-9,12-13H2,1H3,(H,23,24)(H,25,26)/t17-,18-/m1/s1
InChIKeyDQJOFVKRLCBKNO-QZTJIDSGSA-N
MW370.50 g/mol
LogP2.97
Rot. Bonds5

About 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one

8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one (PubChem CID 91826677) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
PubChem CID91826677
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C21H30N4O2/c1-14-11-16-7-10-23-20(19(16)25-21(14)26)24-17-8-9-22-12-18(17)27-13-15-5-3-2-4-6-15/h7,10-11,15,17-18,22H,2-6,8-9,12-13H2,1H3,(H,23,24)(H,25,26)/t17-,18-/m1/s1
InChIKeyDQJOFVKRLCBKNO-QZTJIDSGSA-N
XLogP2.97
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
The IUPAC name of 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one (CID 91826677) is 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one is Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O.
What is the InChIKey of 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
The InChIKey is DQJOFVKRLCBKNO-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14-11-16-7-10-23-20(19(16)25-21(14)26)24-17-8-9-22-12-18(17)27-13-15-5-3-2-4-6-15/h7,10-11,15,17-18,22H,2-6,8-9,12-13H2,1H3,(H,23,24)(H,25,26)/t17-,18-/m1/s1.
What are the key properties of 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one has a molecular weight of 370.50 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 91826677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).