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

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Related Compounds

5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole
CID 172515513
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
(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine
CID 125493472
4-[(2S,4S)-4-(2-acetamidophenoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 175944403
4-[(2S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid;hydrochloride
CID 174060312
4-[(2R,4R)-4-cyclobutyloxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158269
2-[4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 141439637
4-[(2R,4S)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(oxetan-3-yloxy)piperidin-2-yl]benzoic acid
CID 166158356
5-(cyclopropylmethyl)-7-methyl-4-[[(2S,4R)-2-phenyl-4-prop-2-ynylpiperidin-1-yl]methyl]-1H-indole
CID 172515546

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).