[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

C22H30N2O3 — CID 51942637

IUPAC[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)C[C@@H](C)O1
InChIInChI=1S/C22H30N2O3/c1-15-13-24(14-16(2)27-15)21(25)18-8-10-23(11-9-18)22(26)20-7-6-17-4-3-5-19(17)12-20/h6-7,12,15-16,18H,3-5,8-11,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyNXNRPCHBNHQVPK-HZPDHXFCSA-N
MW370.49 g/mol
LogP2.66
Rot. Bonds2

About [1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 51942637) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID51942637
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)C[C@@H](C)O1
InChIInChI=1S/C22H30N2O3/c1-15-13-24(14-16(2)27-15)21(25)18-8-10-23(11-9-18)22(26)20-7-6-17-4-3-5-19(17)12-20/h6-7,12,15-16,18H,3-5,8-11,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyNXNRPCHBNHQVPK-HZPDHXFCSA-N
XLogP2.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806430
cyclobutyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110809284
(4-hydroxy-3-methylpiperidin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 114679797
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 100855651
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone
CID 51942607
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone
CID 51942605
[1-(4-bromo-2-methylbenzoyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 55850164
N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide
CID 38935844
5-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 55685294
[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 48658257
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride
CID 119520750
[(3S)-3-hydroxypyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 79029502

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 51942637) is [1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)C[C@@H](C)O1.
What is the InChIKey of [1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is NXNRPCHBNHQVPK-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-15-13-24(14-16(2)27-15)21(25)18-8-10-23(11-9-18)22(26)20-7-6-17-4-3-5-19(17)12-20/h6-7,12,15-16,18H,3-5,8-11,13-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 370.49 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 51942637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).