N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide

C19H27N3O2 — CID 97454271

IUPACN-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NCCN3CCC[C@@H](CO)C3)cccc2c1C
InChIInChI=1S/C19H27N3O2/c1-13-14(2)21-18-16(13)6-3-7-17(18)19(24)20-8-10-22-9-4-5-15(11-22)12-23/h3,6-7,15,21,23H,4-5,8-12H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyJBMATJZBLUKZRM-OAHLLOKOSA-N
MW329.44 g/mol
LogP2.22
Rot. Bonds5

About N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide

N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 97454271) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID97454271
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NCCN3CCC[C@@H](CO)C3)cccc2c1C
InChIInChI=1S/C19H27N3O2/c1-13-14(2)21-18-16(13)6-3-7-17(18)19(24)20-8-10-22-9-4-5-15(11-22)12-23/h3,6-7,15,21,23H,4-5,8-12H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyJBMATJZBLUKZRM-OAHLLOKOSA-N
XLogP2.22
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.22
H-Bond Donors ≤ 53
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-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97135281
2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 46996855
6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 74232291
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240
N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111471562
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
1-(2,3-difluorophenyl)-3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 118761885
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 118791684
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 125167110
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]-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide (CID 97454271) is N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)NCCN3CCC[C@@H](CO)C3)cccc2c1C.
What is the InChIKey of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is JBMATJZBLUKZRM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-14(2)21-18-16(13)6-3-7-17(18)19(24)20-8-10-22-9-4-5-15(11-22)12-23/h3,6-7,15,21,23H,4-5,8-12H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide?
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.22, 5 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]-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 97454271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).