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

C28H34N2 — CID 172515513

IUPAC5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole
SMILESCc1cc(CC2CC2)c(CN2CCC(C3CC3)C[C@H]2c2ccccc2)c2cc[nH]c12
InChIInChI=1S/C28H34N2/c1-19-15-24(16-20-7-8-20)26(25-11-13-29-28(19)25)18-30-14-12-23(21-9-10-21)17-27(30)22-5-3-2-4-6-22/h2-6,11,13,15,20-21,23,27,29H,7-10,12,14,16-18H2,1H3/t23?,27-/m0/s1
InChIKeyWJSJFYJWLSAWGZ-JVHFYALYSA-N
MW398.59 g/mol
LogP6.79
Rot. Bonds6

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

5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole (PubChem CID 172515513) has the molecular formula C28H34N2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole
PubChem CID172515513
Molecular FormulaC28H34N2
Molecular Weight398.59 g/mol
Exact Mass398.27
IUPAC Name5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole
SMILESCc1cc(CC2CC2)c(CN2CCC(C3CC3)C[C@H]2c2ccccc2)c2cc[nH]c12
InChIInChI=1S/C28H34N2/c1-19-15-24(16-20-7-8-20)26(25-11-13-29-28(19)25)18-30-14-12-23(21-9-10-21)17-27(30)22-5-3-2-4-6-22/h2-6,11,13,15,20-21,23,27,29H,7-10,12,14,16-18H2,1H3/t23?,27-/m0/s1
InChIKeyWJSJFYJWLSAWGZ-JVHFYALYSA-N
XLogP6.79
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(cyclopropylmethyl)-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

Related Compounds

5-(cyclopropylmethyl)-7-methyl-4-[[(2S,4R)-2-phenyl-4-prop-2-ynylpiperidin-1-yl]methyl]-1H-indole
CID 172515546
5-cyclopropyloxy-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole
CID 172515506
(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine
CID 125493472
4-[(2R,4R)-4-cyclopropyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158625
4-[(2S,4S)-4-cyclobutyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158652
4-[(2R,4R)-4-cyclobutyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158458
4-[(2S)-4-cyclopropyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-N-iminobenzenecarboximidamide
CID 174347890
4-[(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-hydroxypiperidin-2-yl]benzoic acid
CID 121362634
5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole
CID 174346481
4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
CID 174347628
4-[(2S,4S)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-methoxypiperidin-2-yl]benzoic acid
CID 90467757
4-[(2S,4R)-4-(cyclopropylmethylamino)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158278

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole?
The IUPAC name of 5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole (CID 172515513) is 5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole.
What is the SMILES notation for 5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole?
The canonical SMILES for 5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole is Cc1cc(CC2CC2)c(CN2CCC(C3CC3)C[C@H]2c2ccccc2)c2cc[nH]c12.
What is the InChIKey of 5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole?
The InChIKey is WJSJFYJWLSAWGZ-JVHFYALYSA-N. The full InChI is InChI=1S/C28H34N2/c1-19-15-24(16-20-7-8-20)26(25-11-13-29-28(19)25)18-30-14-12-23(21-9-10-21)17-27(30)22-5-3-2-4-6-22/h2-6,11,13,15,20-21,23,27,29H,7-10,12,14,16-18H2,1H3/t23?,27-/m0/s1.
What are the key properties of 5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole?
5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole has a molecular weight of 398.59 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole is sourced from PubChem (CID 172515513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).