5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole

C27H32N2O — CID 172515506

IUPAC5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole
SMILESCc1cc(OC2CC2)c(CN2CCC(C3CC3)C[C@H]2c2ccccc2)c2cc[nH]c12
InChIInChI=1S/C27H32N2O/c1-18-15-26(30-22-9-10-22)24(23-11-13-28-27(18)23)17-29-14-12-21(19-7-8-19)16-25(29)20-5-3-2-4-6-20/h2-6,11,13,15,19,21-22,25,28H,7-10,12,14,16-17H2,1H3/t21?,25-/m0/s1
InChIKeyQQFWEJUTCRBDMM-QBGQUKIHSA-N
MW400.57 g/mol
LogP6.38
Rot. Bonds6

About 5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole

5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole (PubChem CID 172515506) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is 5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole.

Molecular Properties

Compound Name5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole
PubChem CID172515506
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole
SMILESCc1cc(OC2CC2)c(CN2CCC(C3CC3)C[C@H]2c2ccccc2)c2cc[nH]c12
InChIInChI=1S/C27H32N2O/c1-18-15-26(30-22-9-10-22)24(23-11-13-28-27(18)23)17-29-14-12-21(19-7-8-19)16-25(29)20-5-3-2-4-6-20/h2-6,11,13,15,19,21-22,25,28H,7-10,12,14,16-17H2,1H3/t21?,25-/m0/s1
InChIKeyQQFWEJUTCRBDMM-QBGQUKIHSA-N
XLogP6.38
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole?
The IUPAC name of 5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole (CID 172515506) is 5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole.
What is the SMILES notation for 5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole?
The canonical SMILES for 5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole is Cc1cc(OC2CC2)c(CN2CCC(C3CC3)C[C@H]2c2ccccc2)c2cc[nH]c12.
What is the InChIKey of 5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole?
The InChIKey is QQFWEJUTCRBDMM-QBGQUKIHSA-N. The full InChI is InChI=1S/C27H32N2O/c1-18-15-26(30-22-9-10-22)24(23-11-13-28-27(18)23)17-29-14-12-21(19-7-8-19)16-25(29)20-5-3-2-4-6-20/h2-6,11,13,15,19,21-22,25,28H,7-10,12,14,16-17H2,1H3/t21?,25-/m0/s1.
What are the key properties of 5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole?
5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole has a molecular weight of 400.57 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole is sourced from PubChem (CID 172515506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).