N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide

C21H25N3O — CID 94811143

IUPACN-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide
SMILESCCN1CCC[C@H](CNC(=O)c2cc3c(ccc4ccccc43)[nH]2)C1
InChIInChI=1S/C21H25N3O/c1-2-24-11-5-6-15(14-24)13-22-21(25)20-12-18-17-8-4-3-7-16(17)9-10-19(18)23-20/h3-4,7-10,12,15,23H,2,5-6,11,13-14H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyNEGXBUMKWHYOEV-OAHLLOKOSA-N
MW335.45 g/mol
LogP3.78
Rot. Bonds4

About N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide

N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide (PubChem CID 94811143) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide
PubChem CID94811143
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide
SMILESCCN1CCC[C@H](CNC(=O)c2cc3c(ccc4ccccc43)[nH]2)C1
InChIInChI=1S/C21H25N3O/c1-2-24-11-5-6-15(14-24)13-22-21(25)20-12-18-17-8-4-3-7-16(17)9-10-19(18)23-20/h3-4,7-10,12,15,23H,2,5-6,11,13-14H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyNEGXBUMKWHYOEV-OAHLLOKOSA-N
XLogP3.78
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
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CID 140931178
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
ethyl 3-[[(3R)-3-[(1H-indole-2-carbonylamino)methyl]piperidine-1-carbonyl]amino]propanoate
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N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
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3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide
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N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide
CID 71889496
N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
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N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide?
The IUPAC name of N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide (CID 94811143) is N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide is CCN1CCC[C@H](CNC(=O)c2cc3c(ccc4ccccc43)[nH]2)C1.
What is the InChIKey of N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide?
The InChIKey is NEGXBUMKWHYOEV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-24-11-5-6-15(14-24)13-22-21(25)20-12-18-17-8-4-3-7-16(17)9-10-19(18)23-20/h3-4,7-10,12,15,23H,2,5-6,11,13-14H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide?
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide is sourced from PubChem (CID 94811143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).