(4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone

C25H30N2O2 — CID 42666955

IUPAC(4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone
SMILESCCCn1c(C(=O)N2CCC(C)CC2)cc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C25H30N2O2/c1-3-14-27-22-10-7-11-24(29-18-20-8-5-4-6-9-20)21(22)17-23(27)25(28)26-15-12-19(2)13-16-26/h4-11,17,19H,3,12-16,18H2,1-2H3
InChIKeyZDPQVVXQWVAFQX-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.50
Rot. Bonds6

About (4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone

(4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone (PubChem CID 42666955) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone
PubChem CID42666955
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone
SMILESCCCn1c(C(=O)N2CCC(C)CC2)cc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C25H30N2O2/c1-3-14-27-22-10-7-11-24(29-18-20-8-5-4-6-9-20)21(22)17-23(27)25(28)26-15-12-19(2)13-16-26/h4-11,17,19H,3,12-16,18H2,1-2H3
InChIKeyZDPQVVXQWVAFQX-UHFFFAOYSA-N
XLogP5.50
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 42667282
4-phenylmethoxy-N-(2-piperidin-1-ylethyl)-1-propylindole-2-carboxamide
CID 42804025
(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 8800006
N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide
CID 42807240
[1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone
CID 93077137
(1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone
CID 42666991
[4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 3448766
[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949947
1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide
CID 42804017
1-ethyl-2-methyl-4-phenylmethoxyindole
CID 143459562
[1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 93123879
[4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 42667458

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone (CID 42666955) is (4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone is CCCn1c(C(=O)N2CCC(C)CC2)cc2c(OCc3ccccc3)cccc21.
What is the InChIKey of (4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone?
The InChIKey is ZDPQVVXQWVAFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-3-14-27-22-10-7-11-24(29-18-20-8-5-4-6-9-20)21(22)17-23(27)25(28)26-15-12-19(2)13-16-26/h4-11,17,19H,3,12-16,18H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone?
(4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone has a molecular weight of 390.53 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone is sourced from PubChem (CID 42666955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).