5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride

C18H25Cl2N3O2 — CID 141233880

IUPAC5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cc2cc(NC3CCN(CC4CC4)CC3)ccc2[nH]1
InChIInChI=1S/C18H23N3O2.2ClH/c22-18(23)17-10-13-9-15(3-4-16(13)20-17)19-14-5-7-21(8-6-14)11-12-1-2-12;;/h3-4,9-10,12,14,19-20H,1-2,5-8,11H2,(H,22,23);2*1H
InChIKeyHMWQOEOJDOIMSI-UHFFFAOYSA-N
MW386.32 g/mol
LogP4.00
Rot. Bonds5

About 5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride

5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride (PubChem CID 141233880) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride
PubChem CID141233880
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC Name5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cc2cc(NC3CCN(CC4CC4)CC3)ccc2[nH]1
InChIInChI=1S/C18H23N3O2.2ClH/c22-18(23)17-10-13-9-15(3-4-16(13)20-17)19-14-5-7-21(8-6-14)11-12-1-2-12;;/h3-4,9-10,12,14,19-20H,1-2,5-8,11H2,(H,22,23);2*1H
InChIKeyHMWQOEOJDOIMSI-UHFFFAOYSA-N
XLogP4.00
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride with MolForge

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Related Compounds

piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride
CID 11568100
(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
CID 11538675
5-(1-propylpiperidin-4-yl)-1H-indole-2-carboxylic acid
CID 90097858
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
CID 51118445
5-[[(2S)-2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutanoyl]amino]-1H-indole-2-carboxylic acid
CID 175191538
5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride
CID 128995369
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 139005711
[4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 122435985
5-(2-aminoacetyl)-1H-indole-2-carboxylic acid
CID 170861029
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride
CID 68683143

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride?
The IUPAC name of 5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride (CID 141233880) is 5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for 5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride?
The canonical SMILES for 5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1cc2cc(NC3CCN(CC4CC4)CC3)ccc2[nH]1.
What is the InChIKey of 5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride?
The InChIKey is HMWQOEOJDOIMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.2ClH/c22-18(23)17-10-13-9-15(3-4-16(13)20-17)19-14-5-7-21(8-6-14)11-12-1-2-12;;/h3-4,9-10,12,14,19-20H,1-2,5-8,11H2,(H,22,23);2*1H.
What are the key properties of 5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride?
5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride has a molecular weight of 386.32 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]-1H-indole-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 141233880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).