[4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone

C23H31N3O3 — CID 73437877

IUPAC[4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone
SMILESCOC1CCC(C(=O)N2CCC(c3[nH]nc4c(OC5CC5)cccc34)CC2)CC1
InChIInChI=1S/C23H31N3O3/c1-28-17-7-5-16(6-8-17)23(27)26-13-11-15(12-14-26)21-19-3-2-4-20(22(19)25-24-21)29-18-9-10-18/h2-4,15-18H,5-14H2,1H3,(H,24,25)
InChIKeyLINYTTDRYQULMS-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.02
Rot. Bonds5

About [4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone

[4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone (PubChem CID 73437877) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is [4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name[4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone
PubChem CID73437877
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name[4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone
SMILESCOC1CCC(C(=O)N2CCC(c3[nH]nc4c(OC5CC5)cccc34)CC2)CC1
InChIInChI=1S/C23H31N3O3/c1-28-17-7-5-16(6-8-17)23(27)26-13-11-15(12-14-26)21-19-3-2-4-20(22(19)25-24-21)29-18-9-10-18/h2-4,15-18H,5-14H2,1H3,(H,24,25)
InChIKeyLINYTTDRYQULMS-UHFFFAOYSA-N
XLogP4.02
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxypiperidin-1-yl)-(4-methoxycyclohexyl)methanone
CID 112531209
azepan-1-yl-(4-methoxycyclohexyl)methanone
CID 112530492
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde
CID 167146390
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 95573565
cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone
CID 73437758
2-[4-(2,6-dimethoxyphenoxy)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975654
cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid
CID 105487842
[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxycyclohexyl)methanone
CID 98136217
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
CID 126951435

Frequently Asked Questions

What is the IUPAC name of [4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone?
The IUPAC name of [4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone (CID 73437877) is [4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone.
What is the SMILES notation for [4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone?
The canonical SMILES for [4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone is COC1CCC(C(=O)N2CCC(c3[nH]nc4c(OC5CC5)cccc34)CC2)CC1.
What is the InChIKey of [4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone?
The InChIKey is LINYTTDRYQULMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-28-17-7-5-16(6-8-17)23(27)26-13-11-15(12-14-26)21-19-3-2-4-20(22(19)25-24-21)29-18-9-10-18/h2-4,15-18H,5-14H2,1H3,(H,24,25).
What are the key properties of [4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone?
[4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone has a molecular weight of 397.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-cyclopropyloxy-2H-indazol-3-yl)piperidin-1-yl]-(4-methoxycyclohexyl)methanone is sourced from PubChem (CID 73437877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).