(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

C14H16ClN3O — CID 4908365

IUPAC(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
InChIKeyHUQJRYMLJBBEDO-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.21
Rot. Bonds1

About (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 4908365) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID4908365
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
InChIKeyHUQJRYMLJBBEDO-UHFFFAOYSA-N
XLogP2.21
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 4908365) is (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HUQJRYMLJBBEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 277.75 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 4908365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).