4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide

C27H33N3O3 — CID 70967908

IUPAC4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide
SMILESCc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(CN3CCC(C)(O)CC3)[nH]c12
InChIInChI=1S/C27H33N3O3/c1-18-24(29-26(31)20-5-8-23(9-6-20)33-17-19-3-4-19)10-7-21-15-22(28-25(18)21)16-30-13-11-27(2,32)12-14-30/h5-10,15,19,28,32H,3-4,11-14,16-17H2,1-2H3,(H,29,31)
InChIKeyNBLPSEVUNUSTKT-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.86
Rot. Bonds7

About 4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide

4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide (PubChem CID 70967908) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide
PubChem CID70967908
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide
SMILESCc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(CN3CCC(C)(O)CC3)[nH]c12
InChIInChI=1S/C27H33N3O3/c1-18-24(29-26(31)20-5-8-23(9-6-20)33-17-19-3-4-19)10-7-21-15-22(28-25(18)21)16-30-13-11-27(2,32)12-14-30/h5-10,15,19,28,32H,3-4,11-14,16-17H2,1-2H3,(H,29,31)
InChIKeyNBLPSEVUNUSTKT-UHFFFAOYSA-N
XLogP4.86
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide with MolForge

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Related Compounds

4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide
CID 70968028
4-(cyclopropylmethoxy)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435902
4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide
CID 89147467
N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119421075
3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 119214222
4-(cyclopropylmethoxy)-N-[3-[[3-(1,1-difluoroethylsulfonyl)propylamino]methyl]-8-methylquinolin-7-yl]benzamide
CID 58111701
4-(cyclopropylmethoxy)-N-[8-methyl-3-[(4-methylsulfonylbutylamino)methyl]quinolin-7-yl]benzamide
CID 58111639
4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
CID 52885534
4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide
CID 58111737
N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide
CID 87126681
4-(cyclopropylmethoxy)-N-[8-methyl-3-[1-(3-methylsulfonylpropylamino)ethyl]quinolin-7-yl]benzamide
CID 58111668
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide (CID 70967908) is 4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide is Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(CN3CCC(C)(O)CC3)[nH]c12.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide?
The InChIKey is NBLPSEVUNUSTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-18-24(29-26(31)20-5-8-23(9-6-20)33-17-19-3-4-19)10-7-21-15-22(28-25(18)21)16-30-13-11-27(2,32)12-14-30/h5-10,15,19,28,32H,3-4,11-14,16-17H2,1-2H3,(H,29,31).
What are the key properties of 4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide?
4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide has a molecular weight of 447.58 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide is sourced from PubChem (CID 70967908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).