1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine

C23H28ClN3O2 — CID 172769945

IUPAC1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)CC1.O=C(O)c1cc2ccccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClNO2.C8H18N2/c16-11-5-7-12(8-6-11)17-13-4-2-1-3-10(13)9-14(17)15(18)19;1-7(2)10-5-3-8(9)4-6-10/h1-9H,(H,18,19);7-8H,3-6,9H2,1-2H3
InChIKeyMUYLFCNXISOLHE-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.80
Rot. Bonds3

About 1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine

1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine (PubChem CID 172769945) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine
PubChem CID172769945
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)CC1.O=C(O)c1cc2ccccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClNO2.C8H18N2/c16-11-5-7-12(8-6-11)17-13-4-2-1-3-10(13)9-14(17)15(18)19;1-7(2)10-5-3-8(9)4-6-10/h1-9H,(H,18,19);7-8H,3-6,9H2,1-2H3
InChIKeyMUYLFCNXISOLHE-UHFFFAOYSA-N
XLogP4.80
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801083
1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801223
(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone
CID 142244437
1-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244434
[1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 90309578
[1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone
CID 20801068
1-[(3,5-dichlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 20801035
[1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 20801044
1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 20801030
1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801026
1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879
1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid
CID 134416470

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine (CID 172769945) is 1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N)CC1.O=C(O)c1cc2ccccc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine?
The InChIKey is MUYLFCNXISOLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2.C8H18N2/c16-11-5-7-12(8-6-11)17-13-4-2-1-3-10(13)9-14(17)15(18)19;1-7(2)10-5-3-8(9)4-6-10/h1-9H,(H,18,19);7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine?
1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine has a molecular weight of 413.95 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 172769945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).