[1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone

C25H23ClN4O — CID 20801042

IUPAC[1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2n1-c1cccc(Cl)c1)N1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C25H23ClN4O/c26-19-5-3-6-22(17-19)30-23-7-2-1-4-18(23)16-24(30)25(31)29-14-10-21(11-15-29)28-20-8-12-27-13-9-20/h1-9,12-13,16-17,21H,10-11,14-15H2,(H,27,28)
InChIKeyDMLZDXASVWMBAZ-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.40
Rot. Bonds4

About [1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone

[1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone (PubChem CID 20801042) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is [1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone
PubChem CID20801042
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name[1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2n1-c1cccc(Cl)c1)N1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C25H23ClN4O/c26-19-5-3-6-22(17-19)30-23-7-2-1-4-18(23)16-24(30)25(31)29-14-10-21(11-15-29)28-20-8-12-27-13-9-20/h1-9,12-13,16-17,21H,10-11,14-15H2,(H,27,28)
InChIKeyDMLZDXASVWMBAZ-UHFFFAOYSA-N
XLogP5.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone
CID 20801068
[1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 20801044
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355
(1-methylindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380576
(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone
CID 142244437
2-pyrazolo[1,5-a]pyridin-3-yl-1-[4-(pyridin-4-ylamino)piperidin-1-yl]ethanone
CID 166281873
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
CID 109363118
(5-chloro-1H-indazol-3-yl)-[4-(3-methylanilino)piperidin-1-yl]methanone
CID 136537801
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186
7-chloro-4-(dimethylamino)-1-[3-[[1-[4-(dimethylamino)-2-oxoquinazoline-1-carbonyl]pyrrolidin-3-yl]amino]phenyl]quinazolin-2-one
CID 171060937
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821025

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone (CID 20801042) is [1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone is O=C(c1cc2ccccc2n1-c1cccc(Cl)c1)N1CCC(Nc2ccncc2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone?
The InChIKey is DMLZDXASVWMBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c26-19-5-3-6-22(17-19)30-23-7-2-1-4-18(23)16-24(30)25(31)29-14-10-21(11-15-29)28-20-8-12-27-13-9-20/h1-9,12-13,16-17,21H,10-11,14-15H2,(H,27,28).
What are the key properties of [1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone?
[1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone has a molecular weight of 430.94 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 20801042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).