ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate

C22H30N2O2 — CID 42567257

IUPACethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC2CC2)CCN(Cc2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C22H30N2O2/c1-3-26-21(25)22(14-17-8-9-17)10-12-24(13-11-22)15-19-16(2)23-20-7-5-4-6-18(19)20/h4-7,17,23H,3,8-15H2,1-2H3
InChIKeyQEWLWXIOEQFHGZ-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.42
Rot. Bonds6

About ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate

ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate (PubChem CID 42567257) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate
PubChem CID42567257
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Nameethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC2CC2)CCN(Cc2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C22H30N2O2/c1-3-26-21(25)22(14-17-8-9-17)10-12-24(13-11-22)15-19-16(2)23-20-7-5-4-6-18(19)20/h4-7,17,23H,3,8-15H2,1-2H3
InChIKeyQEWLWXIOEQFHGZ-UHFFFAOYSA-N
XLogP4.42
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550988
1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 65066079
ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate
CID 25299071
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 171687135
(2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone
CID 110397387
1-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110397400
1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-2-carboxylic acid
CID 65054375
ethyl 4-(cyclopropylmethyl)-1-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]piperidine-4-carboxylate
CID 74812711
1-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110397428
2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid
CID 106745309
ethyl 1-(cyclopropylmethyl)-4-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
CID 92592916

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate (CID 42567257) is ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1(CC2CC2)CCN(Cc2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate?
The InChIKey is QEWLWXIOEQFHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-3-26-21(25)22(14-17-8-9-17)10-12-24(13-11-22)15-19-16(2)23-20-7-5-4-6-18(19)20/h4-7,17,23H,3,8-15H2,1-2H3.
What are the key properties of ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate?
ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate has a molecular weight of 354.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 42567257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).