N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride

C18H22ClN3O — CID 141172253

IUPACN-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1[C@@H]2CC3C[C@@H]1CN(C3)C2)c1ccc2[nH]ccc2c1
InChIInChI=1S/C18H21N3O.ClH/c22-18(13-1-2-16-12(7-13)3-4-19-16)20-17-14-5-11-6-15(17)10-21(8-11)9-14;/h1-4,7,11,14-15,17,19H,5-6,8-10H2,(H,20,22);1H/t11?,14-,15-,17?;/m1./s1
InChIKeyDYRATEGBSPRMBB-BNOPPYFLSA-N
MW331.85 g/mol
LogP2.66
Rot. Bonds2

About N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride

N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride (PubChem CID 141172253) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride
PubChem CID141172253
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1[C@@H]2CC3C[C@@H]1CN(C3)C2)c1ccc2[nH]ccc2c1
InChIInChI=1S/C18H21N3O.ClH/c22-18(13-1-2-16-12(7-13)3-4-19-16)20-17-14-5-11-6-15(17)10-21(8-11)9-14;/h1-4,7,11,14-15,17,19H,5-6,8-10H2,(H,20,22);1H/t11?,14-,15-,17?;/m1./s1
InChIKeyDYRATEGBSPRMBB-BNOPPYFLSA-N
XLogP2.66
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride with MolForge

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Related Compounds

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N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-indole-5-carboxamide
CID 79698493
N-(2,3-dihydro-1H-inden-2-yl)-1H-indole-5-carboxamide
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CID 66186513
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2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid
CID 121494840
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1H-indole-5-carboxamide
CID 110202451
N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride?
The IUPAC name of N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride (CID 141172253) is N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride is Cl.O=C(NC1[C@@H]2CC3C[C@@H]1CN(C3)C2)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride?
The InChIKey is DYRATEGBSPRMBB-BNOPPYFLSA-N. The full InChI is InChI=1S/C18H21N3O.ClH/c22-18(13-1-2-16-12(7-13)3-4-19-16)20-17-14-5-11-6-15(17)10-21(8-11)9-14;/h1-4,7,11,14-15,17,19H,5-6,8-10H2,(H,20,22);1H/t11?,14-,15-,17?;/m1./s1.
What are the key properties of N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride?
N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride has a molecular weight of 331.85 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride is sourced from PubChem (CID 141172253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).