N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide

C28H35N3O2 — CID 45244001

IUPACN-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide
SMILESCc1ccccc1CN1CCC(CN(CC2CCCO2)C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C28H35N3O2/c1-21-5-2-3-6-25(21)19-30-14-11-22(12-15-30)18-31(20-26-7-4-16-33-26)28(32)24-9-8-23-10-13-29-27(23)17-24/h2-3,5-6,8-10,13,17,22,26,29H,4,7,11-12,14-16,18-20H2,1H3
InChIKeyJRQUBWVLSBVCQV-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.01
Rot. Bonds7

About N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide

N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide (PubChem CID 45244001) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide
PubChem CID45244001
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC NameN-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide
SMILESCc1ccccc1CN1CCC(CN(CC2CCCO2)C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C28H35N3O2/c1-21-5-2-3-6-25(21)19-30-14-11-22(12-15-30)18-31(20-26-7-4-16-33-26)28(32)24-9-8-23-10-13-29-27(23)17-24/h2-3,5-6,8-10,13,17,22,26,29H,4,7,11-12,14-16,18-20H2,1H3
InChIKeyJRQUBWVLSBVCQV-UHFFFAOYSA-N
XLogP5.01
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide with MolForge

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Related Compounds

4-methoxy-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42527604
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 72927308
3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45203929
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42214950
5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 42529334
2-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45193260
5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 45221593
5-chloro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 26330943
4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 42566535
2-(diethylamino)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42557577
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 25454692
5-ethyl-4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 42457711

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide (CID 45244001) is N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide is Cc1ccccc1CN1CCC(CN(CC2CCCO2)C(=O)c2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide?
The InChIKey is JRQUBWVLSBVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-21-5-2-3-6-25(21)19-30-14-11-22(12-15-30)18-31(20-26-7-4-16-33-26)28(32)24-9-8-23-10-13-29-27(23)17-24/h2-3,5-6,8-10,13,17,22,26,29H,4,7,11-12,14-16,18-20H2,1H3.
What are the key properties of N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide?
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 45244001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).