[4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone

C25H29N3O2 — CID 141331069

IUPAC[4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCN(Cc3ccc(OCC4CC4)cc3)CC2)cc2ccccc21
InChIInChI=1S/C25H29N3O2/c1-26-23-5-3-2-4-21(23)16-24(26)25(29)28-14-12-27(13-15-28)17-19-8-10-22(11-9-19)30-18-20-6-7-20/h2-5,8-11,16,20H,6-7,12-15,17-18H2,1H3
InChIKeyAXQVJXBWGXQERS-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.93
Rot. Bonds6

About [4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone

[4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone (PubChem CID 141331069) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is [4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
PubChem CID141331069
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name[4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCN(Cc3ccc(OCC4CC4)cc3)CC2)cc2ccccc21
InChIInChI=1S/C25H29N3O2/c1-26-23-5-3-2-4-21(23)16-24(26)25(29)28-14-12-27(13-15-28)17-19-8-10-22(11-9-19)30-18-20-6-7-20/h2-5,8-11,16,20H,6-7,12-15,17-18H2,1H3
InChIKeyAXQVJXBWGXQERS-UHFFFAOYSA-N
XLogP3.93
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 6733619
[4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 158422250
[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 3867068
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 71725004
[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone
CID 155181163
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
(1-methylindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380576
(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone
CID 55881568
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
CID 110849904
(1-methylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7329083
(4-benzylpiperazin-1-yl)-(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)methanone
CID 91958676
[(5aS,8aS)-4-(cyclopropylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(1-methylindol-2-yl)methanone
CID 131691496

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The IUPAC name of [4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone (CID 141331069) is [4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone.
What is the SMILES notation for [4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The canonical SMILES for [4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone is Cn1c(C(=O)N2CCN(Cc3ccc(OCC4CC4)cc3)CC2)cc2ccccc21.
What is the InChIKey of [4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The InChIKey is AXQVJXBWGXQERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-26-23-5-3-2-4-21(23)16-24(26)25(29)28-14-12-27(13-15-28)17-19-8-10-22(11-9-19)30-18-20-6-7-20/h2-5,8-11,16,20H,6-7,12-15,17-18H2,1H3.
What are the key properties of [4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
[4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone has a molecular weight of 403.53 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 141331069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).