N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

C21H31N3O2 — CID 97135281

IUPACN-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCN1CCC[C@@H](CO)C1
InChIInChI=1S/C21H31N3O2/c1-14-6-7-15(2)21-20(14)18(16(3)23-21)11-19(26)22-8-10-24-9-4-5-17(12-24)13-25/h6-7,17,23,25H,4-5,8-13H2,1-3H3,(H,22,26)/t17-/m1/s1
InChIKeyWXMOZWAUVQHSEE-QGZVFWFLSA-N
MW357.50 g/mol
LogP2.46
Rot. Bonds6

About N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 97135281) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID97135281
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCN1CCC[C@@H](CO)C1
InChIInChI=1S/C21H31N3O2/c1-14-6-7-15(2)21-20(14)18(16(3)23-21)11-19(26)22-8-10-24-9-4-5-17(12-24)13-25/h6-7,17,23,25H,4-5,8-13H2,1-3H3,(H,22,26)/t17-/m1/s1
InChIKeyWXMOZWAUVQHSEE-QGZVFWFLSA-N
XLogP2.46
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97454271
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]propanamide
CID 97435127
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 125167110
4-(2,5-dimethyl-1H-imidazol-4-yl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide;formic acid
CID 154909295
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide
CID 125161884
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 118791684
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 74241302
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125155025
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 131945605

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide (CID 97135281) is N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide is Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCN1CCC[C@@H](CO)C1.
What is the InChIKey of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is WXMOZWAUVQHSEE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14-6-7-15(2)21-20(14)18(16(3)23-21)11-19(26)22-8-10-24-9-4-5-17(12-24)13-25/h6-7,17,23,25H,4-5,8-13H2,1-3H3,(H,22,26)/t17-/m1/s1.
What are the key properties of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 357.50 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 97135281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).